6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one

C25H19ClN4O — CID 137438503

IUPAC6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCNCc1c(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12
InChIInChI=1S/C25H19ClN4O/c1-27-14-19-18-9-10-21(31)29-25(18)30-24(15-6-3-2-4-7-15)22(19)17-12-16-8-5-11-28-23(16)20(26)13-17/h2-13,27H,14H2,1H3,(H,29,30,31)
InChIKeyULQSDYBBGVWNFU-UHFFFAOYSA-N
MW426.91 g/mol
LogP5.18
Rot. Bonds4

About 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 137438503) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID137438503
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC Name6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCNCc1c(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12
InChIInChI=1S/C25H19ClN4O/c1-27-14-19-18-9-10-21(31)29-25(18)30-24(15-6-3-2-4-7-15)22(19)17-12-16-8-5-11-28-23(16)20(26)13-17/h2-13,27H,14H2,1H3,(H,29,30,31)
InChIKeyULQSDYBBGVWNFU-UHFFFAOYSA-N
XLogP5.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438467
6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438658
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
3-(8-chloroquinolin-6-yl)-N-methyl-5-oxo-2-phenyl-8H-1,8-naphthyridine-4-carboxamide
CID 137438905
6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one
CID 137438039
2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656863
1-[[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 155006883
2-(8-chloroquinolin-6-yl)-6-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
CID 137439050

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one (CID 137438503) is 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one is CNCc1c(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is ULQSDYBBGVWNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c1-27-14-19-18-9-10-21(31)29-25(18)30-24(15-6-3-2-4-7-15)22(19)17-12-16-8-5-11-28-23(16)20(26)13-17/h2-13,27H,14H2,1H3,(H,29,30,31).
What are the key properties of 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 426.91 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).