5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide

C24H24ClN5O — CID 157142929

IUPAC5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide
SMILESCC[C@@H](CCc1ccc2ccccc2n1)N(C)C(=O)c1cc(Cl)ccc1-n1nccn1
InChIInChI=1S/C24H24ClN5O/c1-3-20(12-11-19-10-8-17-6-4-5-7-22(17)28-19)29(2)24(31)21-16-18(25)9-13-23(21)30-26-14-15-27-30/h4-10,13-16,20H,3,11-12H2,1-2H3/t20-/m0/s1
InChIKeyAKJRAVOGDNPOHC-FQEVSTJZSA-N
MW433.94 g/mol
LogP4.95
Rot. Bonds7

About 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide

5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide (PubChem CID 157142929) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide
PubChem CID157142929
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide
SMILESCC[C@@H](CCc1ccc2ccccc2n1)N(C)C(=O)c1cc(Cl)ccc1-n1nccn1
InChIInChI=1S/C24H24ClN5O/c1-3-20(12-11-19-10-8-17-6-4-5-7-22(17)28-19)29(2)24(31)21-16-18(25)9-13-23(21)30-26-14-15-27-30/h4-10,13-16,20H,3,11-12H2,1-2H3/t20-/m0/s1
InChIKeyAKJRAVOGDNPOHC-FQEVSTJZSA-N
XLogP4.95
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389636
(9R,13S)-13-[4-[5-chloro-2-(triazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118285608
(9R,13S)-13-[4-[5-chloro-2-(triazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-ethyl-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118285609
2-(2-chlorophenyl)-8-methyl-4-(1H-pyrazol-1-ylcarbonyl)quinoline
CID 2220644
4-Acridinecarboxamide, 7-chloro-N-(2-(dimethylamino)ethyl)-
CID 3025660
(2E)-2-[2-(4-chlorophenyl)-1-oxopyrrolo[3,4-b]quinolin-3-ylidene]-N,N-dipropylacetamide
CID 10526812
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1-methyl-1H-indol-3-yl)methanone
CID 44426952
(9R,13S)-13-[4-(5-chloro-2-pyrazol-1-ylphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 166628778
6-chloro-4-[(4-methyl-1H-pyrazol-1-yl)carbonyl]-2-(2-pyridinyl)quinoline
CID 899145
(10R,14S)-14-[4-[5-chloro-2-(triazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one
CID 90060618
(2Z)-2-[2-(4-chlorophenyl)-1-oxopyrrolo[3,4-b]quinolin-3-ylidene]-N,N-dipropylacetamide
CID 10598919
2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide
CID 10717760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide?
The IUPAC name of 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide (CID 157142929) is 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide is CC[C@@H](CCc1ccc2ccccc2n1)N(C)C(=O)c1cc(Cl)ccc1-n1nccn1.
What is the InChIKey of 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide?
The InChIKey is AKJRAVOGDNPOHC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-3-20(12-11-19-10-8-17-6-4-5-7-22(17)28-19)29(2)24(31)21-16-18(25)9-13-23(21)30-26-14-15-27-30/h4-10,13-16,20H,3,11-12H2,1-2H3/t20-/m0/s1.
What are the key properties of 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide?
5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide has a molecular weight of 433.94 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 157142929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).