6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol

C27H22ClN3O2S — CID 137439046

IUPAC6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol
SMILESO=S(Cc1c2c(nc(-c3ccccc3)c1-c1cc(Cl)c3ncccc3c1)NC(O)C=C2)C1CC1
InChIInChI=1S/C27H22ClN3O2S/c28-22-14-18(13-17-7-4-12-29-25(17)22)24-21(15-34(33)19-8-9-19)20-10-11-23(32)30-27(20)31-26(24)16-5-2-1-3-6-16/h1-7,10-14,19,23,32H,8-9,15H2,(H,30,31)
InChIKeyPTRZAAQGDPKRPD-UHFFFAOYSA-N
MW488.01 g/mol
LogP5.79
Rot. Bonds5

About 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol

6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol (PubChem CID 137439046) has the molecular formula C27H22ClN3O2S and a molecular weight of 488.01 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol
PubChem CID137439046
Molecular FormulaC27H22ClN3O2S
Molecular Weight488.01 g/mol
Exact Mass487.11
IUPAC Name6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol
SMILESO=S(Cc1c2c(nc(-c3ccccc3)c1-c1cc(Cl)c3ncccc3c1)NC(O)C=C2)C1CC1
InChIInChI=1S/C27H22ClN3O2S/c28-22-14-18(13-17-7-4-12-29-25(17)22)24-21(15-34(33)19-8-9-19)20-10-11-23(32)30-27(20)31-26(24)16-5-2-1-3-6-16/h1-7,10-14,19,23,32H,8-9,15H2,(H,30,31)
InChIKeyPTRZAAQGDPKRPD-UHFFFAOYSA-N
XLogP5.79
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438658
6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438467
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438503
6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438652
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol (CID 137439046) is 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol is O=S(Cc1c2c(nc(-c3ccccc3)c1-c1cc(Cl)c3ncccc3c1)NC(O)C=C2)C1CC1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol?
The InChIKey is PTRZAAQGDPKRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O2S/c28-22-14-18(13-17-7-4-12-29-25(17)22)24-21(15-34(33)19-8-9-19)20-10-11-23(32)30-27(20)31-26(24)16-5-2-1-3-6-16/h1-7,10-14,19,23,32H,8-9,15H2,(H,30,31).
What are the key properties of 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol?
6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol has a molecular weight of 488.01 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1,2-dihydro-1,8-naphthyridin-2-ol is sourced from PubChem (CID 137439046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).