6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate

C22H21ClN4O3 — CID 172853860

IUPAC6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1Cl.NCc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C15H15N3O.C7H6ClNO2/c16-7-10-5-13(9-17-8-10)11-1-3-14-12(6-11)2-4-15(19)18-14;1-11-7(10)6-5(8)3-2-4-9-6/h1,3,5-6,8-9H,2,4,7,16H2,(H,18,19);2-4H,1H3
InChIKeyYKWSZUGNQPJGJB-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.61
Rot. Bonds3

About 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate

6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate (PubChem CID 172853860) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate
PubChem CID172853860
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1Cl.NCc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C15H15N3O.C7H6ClNO2/c16-7-10-5-13(9-17-8-10)11-1-3-14-12(6-11)2-4-15(19)18-14;1-11-7(10)6-5(8)3-2-4-9-6/h1,3,5-6,8-9H,2,4,7,16H2,(H,18,19);2-4H,1H3
InChIKeyYKWSZUGNQPJGJB-UHFFFAOYSA-N
XLogP3.61
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 146216608
N-methyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carboxamide
CID 133318185
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]pyridine-2-carboxamide
CID 110793860
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854742
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
6-[(2-hydrazinyl-4-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62466442
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 32954032

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate?
The IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate (CID 172853860) is 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate.
What is the SMILES notation for 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate?
The canonical SMILES for 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate is COC(=O)c1ncccc1Cl.NCc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate?
The InChIKey is YKWSZUGNQPJGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.C7H6ClNO2/c16-7-10-5-13(9-17-8-10)11-1-3-14-12(6-11)2-4-15(19)18-14;1-11-7(10)6-5(8)3-2-4-9-6/h1,3,5-6,8-9H,2,4,7,16H2,(H,18,19);2-4H,1H3.
What are the key properties of 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate?
6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate has a molecular weight of 424.89 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one;methyl 3-chloropyridine-2-carboxylate is sourced from PubChem (CID 172853860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).