6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one

C11H12ClN3O — CID 58166804

IUPAC6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
SMILESCC(C)Nc1nc(Cl)cc2cc[nH]c(=O)c12
InChIInChI=1S/C11H12ClN3O/c1-6(2)14-10-9-7(5-8(12)15-10)3-4-13-11(9)16/h3-6H,1-2H3,(H,13,16)(H,14,15)
InChIKeyPURXBSSFPCBMEA-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.40
Rot. Bonds2

About 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one

6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 58166804) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
PubChem CID58166804
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
SMILESCC(C)Nc1nc(Cl)cc2cc[nH]c(=O)c12
InChIInChI=1S/C11H12ClN3O/c1-6(2)14-10-9-7(5-8(12)15-10)3-4-13-11(9)16/h3-6H,1-2H3,(H,13,16)(H,14,15)
InChIKeyPURXBSSFPCBMEA-UHFFFAOYSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 58166928
6-chloro-8-(dimethylamino)-2H-2,7-naphthyridin-1-one
CID 163320790
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094086
6-chloro-8-[3-methyl-4-[(3S)-3-methylazepan-1-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 89162091
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
8-amino-6-methyl-2H-2,7-naphthyridin-1-one;ethane
CID 143841168
6-(3,3-dimethylbutan-2-ylamino)-9-methylsulfanyl-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475364
6-bromo-7,8-difluoro-2H-isoquinolin-1-one
CID 169118375
1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide
CID 141445686
6-[(2S)-butan-2-yl]-8-fluoro-2H-isoquinolin-1-one
CID 118146386
7-[1-(4-chlorophenyl)ethylamino]-2H-isoquinolin-1-one
CID 177299392

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one (CID 58166804) is 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one is CC(C)Nc1nc(Cl)cc2cc[nH]c(=O)c12.
What is the InChIKey of 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The InChIKey is PURXBSSFPCBMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6(2)14-10-9-7(5-8(12)15-10)3-4-13-11(9)16/h3-6H,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one?
6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 237.69 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).