7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one

C13H16ClN3O — CID 90654325

IUPAC7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)nc2c1ccc(=O)n2CCN(C)C
InChIInChI=1S/C13H16ClN3O/c1-9-8-11(14)15-13-10(9)4-5-12(18)17(13)7-6-16(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyLIMRWMSGSLFEKB-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.92
Rot. Bonds3

About 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one

7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one (PubChem CID 90654325) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one
PubChem CID90654325
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)nc2c1ccc(=O)n2CCN(C)C
InChIInChI=1S/C13H16ClN3O/c1-9-8-11(14)15-13-10(9)4-5-12(18)17(13)7-6-16(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyLIMRWMSGSLFEKB-UHFFFAOYSA-N
XLogP1.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorobenzyl)-5,7-dimethyl[1,8]naphthyridin-2(1H)-one
CID 901093
(E)-3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 5676813
1-[4-(6-Chloro-2-pyridinyl)piperazino]-3-phenyl-2-propen-1-one
CID 5918682
tert-Butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate
CID 10355702
7-Chloro-1,8-naphthyridin-2-ol
CID 13302322
(E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 889320
1-[2-(Dimethylamino)ethyl]-1,8-naphthyridin-2-one
CID 12674178
4-Chloro-1-ethyl-1,2-dihydro-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 12818630
1-(6-Chloro-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
CID 12857651
1-(6-Chloro-4-methyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
CID 12857654
1-(5-Chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
CID 12857656
1-[2-[Di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
CID 22753551

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one (CID 90654325) is 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one is Cc1cc(Cl)nc2c1ccc(=O)n2CCN(C)C.
What is the InChIKey of 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one?
The InChIKey is LIMRWMSGSLFEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-8-11(14)15-13-10(9)4-5-12(18)17(13)7-6-16(2)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one?
7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one has a molecular weight of 265.74 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 90654325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).