5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one

C14H12N4O — CID 89113718

IUPAC5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one
SMILESNc1ccccc1Nc1ccnc2[nH]c(=O)ccc12
InChIInChI=1S/C14H12N4O/c15-10-3-1-2-4-12(10)17-11-7-8-16-14-9(11)5-6-13(19)18-14/h1-8H,15H2,(H2,16,17,18,19)
InChIKeyWWNWDSIEUKKXRE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.25
Rot. Bonds2

About 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one

5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one (PubChem CID 89113718) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one
PubChem CID89113718
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one
SMILESNc1ccccc1Nc1ccnc2[nH]c(=O)ccc12
InChIInChI=1S/C14H12N4O/c15-10-3-1-2-4-12(10)17-11-7-8-16-14-9(11)5-6-13(19)18-14/h1-8H,15H2,(H2,16,17,18,19)
InChIKeyWWNWDSIEUKKXRE-UHFFFAOYSA-N
XLogP2.25
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
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N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
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N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 46
CID 5330232

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one (CID 89113718) is 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one is Nc1ccccc1Nc1ccnc2[nH]c(=O)ccc12.
What is the InChIKey of 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one?
The InChIKey is WWNWDSIEUKKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-10-3-1-2-4-12(10)17-11-7-8-16-14-9(11)5-6-13(19)18-14/h1-8H,15H2,(H2,16,17,18,19).
What are the key properties of 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one?
5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one has a molecular weight of 252.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 89113718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).