2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C24H21N5O2 — CID 144516316

IUPAC2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILES[H]/N=C/c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1CN
InChIInChI=1S/C24H21N5O2/c25-12-16-6-5-15(9-18(16)13-26)17-10-21-19(3-1-7-28-21)23(11-17)31-14-22-20(24(27)30)4-2-8-29-22/h1-12,25H,13-14,26H2,(H2,27,30)/b25-12+
InChIKeyPOJMOJICQIWHRM-BRJLIKDPSA-N
MW411.47 g/mol
LogP3.43
Rot. Bonds7

About 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 144516316) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID144516316
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILES[H]/N=C/c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1CN
InChIInChI=1S/C24H21N5O2/c25-12-16-6-5-15(9-18(16)13-26)17-10-21-19(3-1-7-28-21)23(11-17)31-14-22-20(24(27)30)4-2-8-29-22/h1-12,25H,13-14,26H2,(H2,27,30)/b25-12+
InChIKeyPOJMOJICQIWHRM-BRJLIKDPSA-N
XLogP3.43
TPSA127.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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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-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241934
2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71242081
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-(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
(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
2-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 142681726
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 144516316) is 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is [H]/N=C/c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1CN.
What is the InChIKey of 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is POJMOJICQIWHRM-BRJLIKDPSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-12-16-6-5-15(9-18(16)13-26)17-10-21-19(3-1-7-28-21)23(11-17)31-14-22-20(24(27)30)4-2-8-29-22/h1-12,25H,13-14,26H2,(H2,27,30)/b25-12+.
What are the key properties of 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 144516316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).