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

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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).