2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C25H21ClN4O2 — CID 71241934

IUPAC2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12
InChIInChI=1S/C25H21ClN4O2/c26-20-11-15(5-6-19(20)25(28)7-8-25)16-12-21-17(3-1-9-29-21)23(13-16)32-14-22-18(24(27)31)4-2-10-30-22/h1-6,9-13H,7-8,14,28H2,(H2,27,31)
InChIKeyHFVGRECDVIUAAZ-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.58
Rot. Bonds6

About 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241934) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241934
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC Name2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12
InChIInChI=1S/C25H21ClN4O2/c26-20-11-15(5-6-19(20)25(28)7-8-25)16-12-21-17(3-1-9-29-21)23(13-16)32-14-22-18(24(27)31)4-2-10-30-22/h1-6,9-13H,7-8,14,28H2,(H2,27,31)
InChIKeyHFVGRECDVIUAAZ-UHFFFAOYSA-N
XLogP4.58
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide
CID 71242073
ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide
CID 144516381
2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71242081
2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 144516316
(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159026240
4-[5-[(2-carbamoylphenyl)methoxy]quinolin-7-yl]benzenesulfinic acid
CID 71244060
4-[5-[(2-carbamoylphenyl)methoxy]quinolin-7-yl]benzenesulfinate
CID 71244059
2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 159501401
(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159981095
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158687562
2-[[7-(1-methylindazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(6-piperidin-1-yl-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 160888967
2-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 142681726

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241934) is 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is NC(=O)c1cccnc1COc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12.
What is the InChIKey of 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is HFVGRECDVIUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c26-20-11-15(5-6-19(20)25(28)7-8-25)16-12-21-17(3-1-9-29-21)23(13-16)32-14-22-18(24(27)31)4-2-10-30-22/h1-6,9-13H,7-8,14,28H2,(H2,27,31).
What are the key properties of 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).