8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one

C19H16ClN5O — CID 72858198

IUPAC8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CNCc2ccccc2-n2cncn2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H16ClN5O/c20-16-6-3-5-15-18(26)8-14(24-19(15)16)10-21-9-13-4-1-2-7-17(13)25-12-22-11-23-25/h1-8,11-12,21H,9-10H2,(H,24,26)
InChIKeySZSPVOOIROKITL-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.05
Rot. Bonds5

About 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one

8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one (PubChem CID 72858198) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
PubChem CID72858198
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CNCc2ccccc2-n2cncn2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H16ClN5O/c20-16-6-3-5-15-18(26)8-14(24-19(15)16)10-21-9-13-4-1-2-7-17(13)25-12-22-11-23-25/h1-8,11-12,21H,9-10H2,(H,24,26)
InChIKeySZSPVOOIROKITL-UHFFFAOYSA-N
XLogP3.05
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one 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

N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
2-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63069997
2-chloro-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951257
8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one
CID 72915360
N-[(2-fluorophenyl)methyl]-1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 47019358
1-[3-(2-methylprop-2-enoxy)phenyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]methanamine
CID 46994456
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
N-[(2-chlorophenyl)methyl]-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
CID 60934433
N-[(2-aminophenyl)methyl]-3-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 66385676
(3R)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiolan-3-amine
CID 95135165
2-(1,2,4-triazol-1-yl)chromen-4-one
CID 10878499
N'-cyclopentyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]butanediamide
CID 46995343

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one (CID 72858198) is 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one is O=c1cc(CNCc2ccccc2-n2cncn2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one?
The InChIKey is SZSPVOOIROKITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-16-6-3-5-15-18(26)8-14(24-19(15)16)10-21-9-13-4-1-2-7-17(13)25-12-22-11-23-25/h1-8,11-12,21H,9-10H2,(H,24,26).
What are the key properties of 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one?
8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one has a molecular weight of 365.82 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72858198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).