3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride

C10H11ClN2O — CID 121215745

IUPAC3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride
SMILESCc1cc2ccn(C)cc-2c(=O)n1.Cl
InChIInChI=1S/C10H10N2O.ClH/c1-7-5-8-3-4-12(2)6-9(8)10(13)11-7;/h3-6H,1-2H3;1H
InChIKeyPHVZRBKLJRIDQO-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.62
Rot. Bonds

About 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride

3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride (PubChem CID 121215745) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride.

Molecular Properties

Compound Name3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride
PubChem CID121215745
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride
SMILESCc1cc2ccn(C)cc-2c(=O)n1.Cl
InChIInChI=1S/C10H10N2O.ClH/c1-7-5-8-3-4-12(2)6-9(8)10(13)11-7;/h3-6H,1-2H3;1H
InChIKeyPHVZRBKLJRIDQO-UHFFFAOYSA-N
XLogP1.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 21472108
2H-pyrido[1,2-a]quinoxaline-3-carboxamide
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3-Cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene
CID 143037790
3-Cyclopenta-1,3-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene
CID 143037792
3-Cyclohexa-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one
CID 143037796
1-methyl-3-(5-methyl-4H-pyridin-4-id-2-yl)pyridin-2-one;yttrium
CID 172336073
Pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide
CID 172683681
3-Prop-2-enyl-1,5-benzodiazepin-2-one
CID 174790918
3-Hydroxybenzo[c][2,7]naphthyridin-5-one
CID 10081894
3,7-Dimethyl-2,7-naphthyridin-1(7H)-one
CID 71367861
5,6-Dimethyl-1,6-naphthyridin-2-one
CID 73667019
N-(1-methylquinolin-5-ylidene)acetamide
CID 124288594

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride?
The IUPAC name of 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride (CID 121215745) is 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride.
What is the SMILES notation for 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride?
The canonical SMILES for 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride is Cc1cc2ccn(C)cc-2c(=O)n1.Cl.
What is the InChIKey of 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride?
The InChIKey is PHVZRBKLJRIDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.ClH/c1-7-5-8-3-4-12(2)6-9(8)10(13)11-7;/h3-6H,1-2H3;1H.
What are the key properties of 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride?
3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2,7-naphthyridin-1-one;hydrochloride is sourced from PubChem (CID 121215745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).