(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine

C117H110N20O10 — CID 158472411

IUPAC(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine
SMILESC=C(N)c1cccnc1COc1cc(-c2ccccc2)cc2ncccc12.CCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.CCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1ccc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1
InChIInChI=1S/C27H30N4O3.C26H20N4O2.C23H19N3O.C21H19N5O2.C20H22N4O2/c1-18(22-16-26(32)29-17-22)34-25-15-21(14-24-23(25)4-3-9-28-24)19-5-7-20(8-6-19)27(33)31-12-10-30(2)11-13-31;1-16-6-7-18-12-17(8-9-22(18)30-16)19-13-23-20(4-2-10-28-23)25(14-19)32-15-24-21(26(27)31)5-3-11-29-24;1-16(24)19-9-5-12-26-22(19)15-27-23-14-18(17-7-3-2-4-8-17)13-21-20(23)10-6-11-25-21;1-2-26-12-15(11-25-26)14-9-18-16(5-3-7-23-18)20(10-14)28-13-19-17(21(22)27)6-4-8-24-19;1-3-24-12-16(11-23-24)14-7-18-17(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h3-9,14-15,18,22H,10-13,16-17H2,1-2H3,(H,29,32);2-14H,15H2,1H3,(H2,27,31);2-14H,1,15,24H2;3-12H,2,13H2,1H3,(H2,22,27);4-8,11-13,15H,3,9-10H2,1-2H3,(H,22,25)/t18-,22-;;;;13-,15-/m1...1/s1
InChIKeyHGMZJCWPOGHDKA-JTJCIYQZSA-N
MW1956.30 g/mol
LogP19.04
Rot. Bonds26

About (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine

(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine (PubChem CID 158472411) has the molecular formula C117H110N20O10 and a molecular weight of 1956.30 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine
PubChem CID158472411
Molecular FormulaC117H110N20O10
Molecular Weight1956.30 g/mol
Exact Mass1954.87
IUPAC Name(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine
SMILESC=C(N)c1cccnc1COc1cc(-c2ccccc2)cc2ncccc12.CCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.CCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1ccc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1
InChIInChI=1S/C27H30N4O3.C26H20N4O2.C23H19N3O.C21H19N5O2.C20H22N4O2/c1-18(22-16-26(32)29-17-22)34-25-15-21(14-24-23(25)4-3-9-28-24)19-5-7-20(8-6-19)27(33)31-12-10-30(2)11-13-31;1-16-6-7-18-12-17(8-9-22(18)30-16)19-13-23-20(4-2-10-28-23)25(14-19)32-15-24-21(26(27)31)5-3-11-29-24;1-16(24)19-9-5-12-26-22(19)15-27-23-14-18(17-7-3-2-4-8-17)13-21-20(23)10-6-11-25-21;1-2-26-12-15(11-25-26)14-9-18-16(5-3-7-23-18)20(10-14)28-13-19-17(21(22)27)6-4-8-24-19;1-3-24-12-16(11-23-24)14-7-18-17(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h3-9,14-15,18,22H,10-13,16-17H2,1-2H3,(H,29,32);2-14H,15H2,1H3,(H2,27,31);2-14H,1,15,24H2;3-12H,2,13H2,1H3,(H2,22,27);4-8,11-13,15H,3,9-10H2,1-2H3,(H,22,25)/t18-,22-;;;;13-,15-/m1...1/s1
InChIKeyHGMZJCWPOGHDKA-JTJCIYQZSA-N
XLogP19.04
TPSA391.75 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001956.30
LogP ≤ 519.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine?
The IUPAC name of (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine (CID 158472411) is (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine is C=C(N)c1cccnc1COc1cc(-c2ccccc2)cc2ncccc12.CCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.CCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1ccc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine?
The InChIKey is HGMZJCWPOGHDKA-JTJCIYQZSA-N. The full InChI is InChI=1S/C27H30N4O3.C26H20N4O2.C23H19N3O.C21H19N5O2.C20H22N4O2/c1-18(22-16-26(32)29-17-22)34-25-15-21(14-24-23(25)4-3-9-28-24)19-5-7-20(8-6-19)27(33)31-12-10-30(2)11-13-31;1-16-6-7-18-12-17(8-9-22(18)30-16)19-13-23-20(4-2-10-28-23)25(14-19)32-15-24-21(26(27)31)5-3-11-29-24;1-16(24)19-9-5-12-26-22(19)15-27-23-14-18(17-7-3-2-4-8-17)13-21-20(23)10-6-11-25-21;1-2-26-12-15(11-25-26)14-9-18-16(5-3-7-23-18)20(10-14)28-13-19-17(21(22)27)6-4-8-24-19;1-3-24-12-16(11-23-24)14-7-18-17(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h3-9,14-15,18,22H,10-13,16-17H2,1-2H3,(H,29,32);2-14H,15H2,1H3,(H2,27,31);2-14H,1,15,24H2;3-12H,2,13H2,1H3,(H2,22,27);4-8,11-13,15H,3,9-10H2,1-2H3,(H,22,25)/t18-,22-;;;;13-,15-/m1...1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine?
(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine has a molecular weight of 1956.30 g/mol, XLogP of 19.04, 26 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine is sourced from PubChem (CID 158472411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).