6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one

C18H13ClN4O — CID 122637271

IUPAC6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2cnccc2n1
InChIInChI=1S/C18H13ClN4O/c19-14-2-3-15-12(8-14)7-13(18(24)23-15)10-21-17-4-1-11-9-20-6-5-16(11)22-17/h1-9H,10H2,(H,21,22)(H,23,24)
InChIKeyVURXFWVYTOPUAA-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.74
Rot. Bonds3

About 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one

6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one (PubChem CID 122637271) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
PubChem CID122637271
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2cnccc2n1
InChIInChI=1S/C18H13ClN4O/c19-14-2-3-15-12(8-14)7-13(18(24)23-15)10-21-17-4-1-11-9-20-6-5-16(11)22-17/h1-9H,10H2,(H,21,22)(H,23,24)
InChIKeyVURXFWVYTOPUAA-UHFFFAOYSA-N
XLogP3.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile
CID 118956121
6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637348
3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
CID 122637212
6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637084
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
6-chloro-3-[[[4-[methylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 146240371
6-chloro-3-[[(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637234

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one (CID 122637271) is 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2cnccc2n1.
What is the InChIKey of 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one?
The InChIKey is VURXFWVYTOPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-14-2-3-15-12(8-14)7-13(18(24)23-15)10-21-17-4-1-11-9-20-6-5-16(11)22-17/h1-9H,10H2,(H,21,22)(H,23,24).
What are the key properties of 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one?
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one has a molecular weight of 336.78 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).