1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea

C26H28N4O2 — CID 135462217

IUPAC1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)Nc1cccc2ccccc12)C(CC)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C26H28N4O2/c1-3-5-17-30(26(32)28-21-16-10-12-18-11-6-7-13-19(18)21)23(4-2)24-27-22-15-9-8-14-20(22)25(31)29-24/h6-16,23H,3-5,17H2,1-2H3,(H,28,32)(H,27,29,31)
InChIKeyLYYZTCMKWLYRHL-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.86
Rot. Bonds7

About 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea

1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea (PubChem CID 135462217) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea
PubChem CID135462217
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)Nc1cccc2ccccc12)C(CC)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C26H28N4O2/c1-3-5-17-30(26(32)28-21-16-10-12-18-11-6-7-13-19(18)21)23(4-2)24-27-22-15-9-8-14-20(22)25(31)29-24/h6-16,23H,3-5,17H2,1-2H3,(H,28,32)(H,27,29,31)
InChIKeyLYYZTCMKWLYRHL-UHFFFAOYSA-N
XLogP5.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea with MolForge

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Related Compounds

1-(6-aminohexyl)-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135516976
1-butyl-3-(3-chlorophenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135517988
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea
CID 4025783
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea
CID 135510395
1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-ylurea
CID 42712560
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4573937
1-(6-aminohexyl)-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135449474

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea?
The IUPAC name of 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea (CID 135462217) is 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea.
What is the SMILES notation for 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea?
The canonical SMILES for 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea is CCCCN(C(=O)Nc1cccc2ccccc12)C(CC)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea?
The InChIKey is LYYZTCMKWLYRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-3-5-17-30(26(32)28-21-16-10-12-18-11-6-7-13-19(18)21)23(4-2)24-27-22-15-9-8-14-20(22)25(31)29-24/h6-16,23H,3-5,17H2,1-2H3,(H,28,32)(H,27,29,31).
What are the key properties of 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea?
1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea has a molecular weight of 428.54 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea is sourced from PubChem (CID 135462217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).