3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one

C15H12ClN3O2 — CID 175639662

IUPAC3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one
SMILESCc1ccc(O)cc1-c1c(N)c(=O)[nH]c2cc(Cl)cnc12
InChIInChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21)
InChIKeyHOEBQLINEIJNTI-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.84
Rot. Bonds1

About 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one

3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one (PubChem CID 175639662) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one
PubChem CID175639662
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one
SMILESCc1ccc(O)cc1-c1c(N)c(=O)[nH]c2cc(Cl)cnc12
InChIInChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21)
InChIKeyHOEBQLINEIJNTI-UHFFFAOYSA-N
XLogP2.84
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(2-chlorophenyl)-4-hydroxy-1H-1,5-naphthyridin-2-one
CID 54730151
7-chloro-4-hydroxy-3-thiophen-2-yl-1H-1,5-naphthyridin-2-one
CID 54730141
3-(2,4-diaminophenyl)-4-methylphenol
CID 22061973
14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione
CID 10521308
4-methyl-3-pyrimidin-5-ylphenol
CID 130758560
3-amino-6-chloro-4-(2-fluorophenyl)-1H-quinolin-2-one
CID 44561344
3-chloro-4-methylphenol
CID 14853
4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol
CID 166306484
(3,6-dichloro-2-oxo-1H-quinolin-4-yl)methyl acetate
CID 121013645
8-chloro-7-methylquinolin-3-ol
CID 130495707
2-methyl-9H-carbazole-1,6-diol
CID 171715126
2-(2,3,6-trimethylphenyl)benzene-1,4-diol
CID 101299187

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one (CID 175639662) is 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one is Cc1ccc(O)cc1-c1c(N)c(=O)[nH]c2cc(Cl)cnc12.
What is the InChIKey of 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one?
The InChIKey is HOEBQLINEIJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21).
What are the key properties of 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one?
3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one has a molecular weight of 301.73 g/mol, XLogP of 2.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-chloro-4-(5-hydroxy-2-methylphenyl)-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 175639662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).