1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea

C32H32N4O2 — CID 42718648

IUPAC1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
SMILESCCCN(C(=O)Nc1cccc2ccccc12)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C32H32N4O2/c1-4-20-35(32(38)34-27-19-11-14-23-13-6-7-16-25(23)27)29(5-2)30-33-28-18-9-8-17-26(28)31(37)36(30)24-15-10-12-22(3)21-24/h6-19,21,29H,4-5,20H2,1-3H3,(H,34,38)
InChIKeyUNFWUOQCJZGGRN-UHFFFAOYSA-N
MW504.63 g/mol
LogP7.24
Rot. Bonds7

About 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea

1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea (PubChem CID 42718648) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea.

Molecular Properties

Compound Name1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
PubChem CID42718648
Molecular FormulaC32H32N4O2
Molecular Weight504.63 g/mol
Exact Mass504.25
IUPAC Name1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
SMILESCCCN(C(=O)Nc1cccc2ccccc12)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C32H32N4O2/c1-4-20-35(32(38)34-27-19-11-14-23-13-6-7-16-25(23)27)29(5-2)30-33-28-18-9-8-17-26(28)31(37)36(30)24-15-10-12-22(3)21-24/h6-19,21,29H,4-5,20H2,1-3H3,(H,34,38)
InChIKeyUNFWUOQCJZGGRN-UHFFFAOYSA-N
XLogP7.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718685
1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718679
3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
CID 42716184
3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42718667
3-(2,6-dimethylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718682
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299
3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718730
N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
CID 4600532
ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42719134

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea?
The IUPAC name of 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea (CID 42718648) is 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea.
What is the SMILES notation for 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea?
The canonical SMILES for 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea is CCCN(C(=O)Nc1cccc2ccccc12)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea?
The InChIKey is UNFWUOQCJZGGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2/c1-4-20-35(32(38)34-27-19-11-14-23-13-6-7-16-25(23)27)29(5-2)30-33-28-18-9-8-17-26(28)31(37)36(30)24-15-10-12-22(3)21-24/h6-19,21,29H,4-5,20H2,1-3H3,(H,34,38).
What are the key properties of 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea?
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea has a molecular weight of 504.63 g/mol, XLogP of 7.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea is sourced from PubChem (CID 42718648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).