3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one

C24H25N3O2 — CID 143852495

IUPAC3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one
SMILESC=C(/C=C(\O)C1CC1)Nc1ccc(C)c(-c2cc3cnc(C)cc3n(C)c2=O)c1
InChIInChI=1S/C24H25N3O2/c1-14-5-8-19(26-16(3)10-23(28)17-6-7-17)12-20(14)21-11-18-13-25-15(2)9-22(18)27(4)24(21)29/h5,8-13,17,26,28H,3,6-7H2,1-2,4H3/b23-10-
InChIKeyJBELIIIGWGAFLZ-RMORIDSASA-N
MW387.48 g/mol
LogP4.99
Rot. Bonds5

About 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one

3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one (PubChem CID 143852495) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one
PubChem CID143852495
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one
SMILESC=C(/C=C(\O)C1CC1)Nc1ccc(C)c(-c2cc3cnc(C)cc3n(C)c2=O)c1
InChIInChI=1S/C24H25N3O2/c1-14-5-8-19(26-16(3)10-23(28)17-6-7-17)12-20(14)21-11-18-13-25-15(2)9-22(18)27(4)24(21)29/h5,8-13,17,26,28H,3,6-7H2,1-2,4H3/b23-10-
InChIKeyJBELIIIGWGAFLZ-RMORIDSASA-N
XLogP4.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one (CID 143852495) is 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one is C=C(/C=C(\O)C1CC1)Nc1ccc(C)c(-c2cc3cnc(C)cc3n(C)c2=O)c1.
What is the InChIKey of 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one?
The InChIKey is JBELIIIGWGAFLZ-RMORIDSASA-N. The full InChI is InChI=1S/C24H25N3O2/c1-14-5-8-19(26-16(3)10-23(28)17-6-7-17)12-20(14)21-11-18-13-25-15(2)9-22(18)27(4)24(21)29/h5,8-13,17,26,28H,3,6-7H2,1-2,4H3/b23-10-.
What are the key properties of 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one?
3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 143852495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).