2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one

C23H23N3O — CID 153341731

IUPAC2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one
SMILESC=C1C2=CCCC=C2Nc2nc(C3CCCC3)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C23H23N3O/c1-15-18-13-7-8-14-19(18)24-21-20(15)23(27)26(17-11-3-2-4-12-17)22(25-21)16-9-5-6-10-16/h2-4,11-14,16,24H,1,5-10H2
InChIKeyNKEIEFKHOCXISQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.93
Rot. Bonds2

About 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one

2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one (PubChem CID 153341731) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one
PubChem CID153341731
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one
SMILESC=C1C2=CCCC=C2Nc2nc(C3CCCC3)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C23H23N3O/c1-15-18-13-7-8-14-19(18)24-21-20(15)23(27)26(17-11-3-2-4-12-17)22(25-21)16-9-5-6-10-16/h2-4,11-14,16,24H,1,5-10H2
InChIKeyNKEIEFKHOCXISQ-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one (CID 153341731) is 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one is C=C1C2=CCCC=C2Nc2nc(C3CCCC3)n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one?
The InChIKey is NKEIEFKHOCXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-15-18-13-7-8-14-19(18)24-21-20(15)23(27)26(17-11-3-2-4-12-17)22(25-21)16-9-5-6-10-16/h2-4,11-14,16,24H,1,5-10H2.
What are the key properties of 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one?
2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one has a molecular weight of 357.46 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 153341731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).