N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide

C18H16ClN3O2 — CID 176914609

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide
SMILESC[C@H](NC(=O)Cn1ccc2cccnc2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12(13-4-6-15(19)7-5-13)21-16(23)11-22-10-8-14-3-2-9-20-17(14)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyHIAKHMZSUFYXCT-LBPRGKRZSA-N
MW341.80 g/mol
LogP2.93
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide (PubChem CID 176914609) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide
PubChem CID176914609
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide
SMILESC[C@H](NC(=O)Cn1ccc2cccnc2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12(13-4-6-15(19)7-5-13)21-16(23)11-22-10-8-14-3-2-9-20-17(14)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyHIAKHMZSUFYXCT-LBPRGKRZSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324084
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide
CID 176914610
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 100739457
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4786938

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide (CID 176914609) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide is C[C@H](NC(=O)Cn1ccc2cccnc2c1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide?
The InChIKey is HIAKHMZSUFYXCT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12(13-4-6-15(19)7-5-13)21-16(23)11-22-10-8-14-3-2-9-20-17(14)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide is sourced from PubChem (CID 176914609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).