1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

C22H24N4O2 — CID 135417689

IUPAC1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-8-16(13-15)23-22(28)26(17-9-2-3-10-17)14-20-24-19-12-5-4-11-18(19)21(27)25-20/h4-8,11-13,17H,2-3,9-10,14H2,1H3,(H,23,28)(H,24,25,27)
InChIKeySUJQLRSDTLZSLQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.21
Rot. Bonds4

About 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 135417689) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID135417689
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-8-16(13-15)23-22(28)26(17-9-2-3-10-17)14-20-24-19-12-5-4-11-18(19)21(27)25-20/h4-8,11-13,17H,2-3,9-10,14H2,1H3,(H,23,28)(H,24,25,27)
InChIKeySUJQLRSDTLZSLQ-UHFFFAOYSA-N
XLogP4.21
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 135417689) is 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is Cc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is SUJQLRSDTLZSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-6-8-16(13-15)23-22(28)26(17-9-2-3-10-17)14-20-24-19-12-5-4-11-18(19)21(27)25-20/h4-8,11-13,17H,2-3,9-10,14H2,1H3,(H,23,28)(H,24,25,27).
What are the key properties of 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 376.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 135417689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).