1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone

C62H70N10O9 — CID 159533281

IUPAC1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)nc(OC3CC(C(C)=O)N(C)C3)c2cc1OC
InChIInChI=1S/C21H28N4O5.C21H21N3O2.C20H21N3O2/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25;1-14(25)19-12-16(13-24(19)2)26-21-17-10-6-7-11-18(17)22-20(23-21)15-8-4-3-5-9-15;1-13(24)19-10-14(12-23(19)2)25-20-11-18(17-8-5-9-21-17)22-16-7-4-3-6-15(16)20/h10-11,14,17H,5-9,12H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-4,6-9,11,14,19H,5,10,12H2,1-2H3
InChIKeyMDGRCWKDAAMVIF-UHFFFAOYSA-N
MW1099.30 g/mol
LogP7.95
Rot. Bonds14

About 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone

1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone (PubChem CID 159533281) has the molecular formula C62H70N10O9 and a molecular weight of 1099.30 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
PubChem CID159533281
Molecular FormulaC62H70N10O9
Molecular Weight1099.30 g/mol
Exact Mass1098.53
IUPAC Name1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)nc(OC3CC(C(C)=O)N(C)C3)c2cc1OC
InChIInChI=1S/C21H28N4O5.C21H21N3O2.C20H21N3O2/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25;1-14(25)19-12-16(13-24(19)2)26-21-17-10-6-7-11-18(17)22-20(23-21)15-8-4-3-5-9-15;1-13(24)19-10-14(12-23(19)2)25-20-11-18(17-8-5-9-21-17)22-16-7-4-3-6-15(16)20/h10-11,14,17H,5-9,12H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-4,6-9,11,14,19H,5,10,12H2,1-2H3
InChIKeyMDGRCWKDAAMVIF-UHFFFAOYSA-N
XLogP7.95
TPSA196.36 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.30
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[3-Fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-(3-phenyl-1,4,6-triazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-5-yl)ethanone
CID 157063929
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-piperazin-1-ylethoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinazoline
CID 157810611
1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
CID 158192662
1-[4-[2,8-Bis(trifluoromethyl)quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(2-imidazol-1-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(1,3-thiazol-4-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone
CID 159235195
4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
CID 23080668
1-[4-(6,7-Dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone
CID 58963070
1-[4-[2-[6-Methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one
CID 91206949
2-[5-[6-Methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1-(4-phenylquinazolin-2-yl)ethanone
CID 147707935
2-[5-[6-Methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1-(3-phenyl-1,4,6-triazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-5-yl)ethanone
CID 148350306
5-[5-[6-Methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-4-phenylpyrimidine-2-carboxamide
CID 156294686
7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane
CID 157164843
4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine;[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-phenylmethanone
CID 157315956

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone (CID 159533281) is 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone is CC(=O)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C.CC(=O)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C.COc1cc2nc(N3CCOCC3)nc(OC3CC(C(C)=O)N(C)C3)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone?
The InChIKey is MDGRCWKDAAMVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5.C21H21N3O2.C20H21N3O2/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25;1-14(25)19-12-16(13-24(19)2)26-21-17-10-6-7-11-18(17)22-20(23-21)15-8-4-3-5-9-15;1-13(24)19-10-14(12-23(19)2)25-20-11-18(17-8-5-9-21-17)22-16-7-4-3-6-15(16)20/h10-11,14,17H,5-9,12H2,1-4H3;3-11,16,19H,12-13H2,1-2H3;3-4,6-9,11,14,19H,5,10,12H2,1-2H3.
What are the key properties of 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone?
1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone has a molecular weight of 1099.30 g/mol, XLogP of 7.95, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[1-methyl-4-(2-phenylquinazolin-4-yl)oxypyrrolidin-2-yl]ethanone;1-[1-methyl-4-[2-(3H-pyrrol-5-yl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone is sourced from PubChem (CID 159533281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).