1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea

C23H27ClN4O2 — CID 42720389

IUPAC1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
SMILESCCCN(C(=O)NCC)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C23H27ClN4O2/c1-4-14-27(23(30)25-6-3)20(5-2)21-26-19-13-8-7-12-18(19)22(29)28(21)17-11-9-10-16(24)15-17/h7-13,15,20H,4-6,14H2,1-3H3,(H,25,30)
InChIKeySEQLLIIWJRQVAY-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.93
Rot. Bonds7

About 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea

1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea (PubChem CID 42720389) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea.

Molecular Properties

Compound Name1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
PubChem CID42720389
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
SMILESCCCN(C(=O)NCC)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C23H27ClN4O2/c1-4-14-27(23(30)25-6-3)20(5-2)21-26-19-13-8-7-12-18(19)22(29)28(21)17-11-9-10-16(24)15-17/h7-13,15,20H,4-6,14H2,1-3H3,(H,25,30)
InChIKeySEQLLIIWJRQVAY-UHFFFAOYSA-N
XLogP4.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42720398
3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
CID 42716184
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
3-tert-butyl-1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42717526
N-butyl-N-[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methoxybenzamide
CID 92514732
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 42721102
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403
3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42718667

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea?
The IUPAC name of 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea (CID 42720389) is 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea.
What is the SMILES notation for 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea?
The canonical SMILES for 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea is CCCN(C(=O)NCC)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea?
The InChIKey is SEQLLIIWJRQVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-4-14-27(23(30)25-6-3)20(5-2)21-26-19-13-8-7-12-18(19)22(29)28(21)17-11-9-10-16(24)15-17/h7-13,15,20H,4-6,14H2,1-3H3,(H,25,30).
What are the key properties of 1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea?
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea has a molecular weight of 426.95 g/mol, XLogP of 4.93, 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-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea is sourced from PubChem (CID 42720389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).