1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea

C15H18N4O2 — CID 110749123

IUPAC1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)NC1CCCC1
InChIInChI=1S/C15H18N4O2/c20-14-12-8-4-3-7-11(12)13(18-19-14)9-16-15(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H2,16,17,21)
InChIKeyMOPZQXBICYCHKC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.66
Rot. Bonds3

About 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea

1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (PubChem CID 110749123) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
PubChem CID110749123
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)NC1CCCC1
InChIInChI=1S/C15H18N4O2/c20-14-12-8-4-3-7-11(12)13(18-19-14)9-16-15(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H2,16,17,21)
InChIKeyMOPZQXBICYCHKC-UHFFFAOYSA-N
XLogP1.66
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide
CID 7626363
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
1-cyclohexyl-3-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]urea
CID 90490574
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 94637149
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 51473384
1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048720
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 24626134

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CID 110749123) is 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is O=C(NCc1n[nH]c(=O)c2ccccc12)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The InChIKey is MOPZQXBICYCHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-12-8-4-3-7-11(12)13(18-19-14)9-16-15(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H2,16,17,21).
What are the key properties of 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea has a molecular weight of 286.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is sourced from PubChem (CID 110749123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).