1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea

C18H16Cl2N4O2 — CID 1055839

IUPAC1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
SMILESC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C18H16Cl2N4O2/c1-10(21-18(26)22-13-6-3-11(19)4-7-13)16-23-15-9-12(20)5-8-14(15)17(25)24(16)2/h3-10H,1-2H3,(H2,21,22,26)/t10-/m0/s1
InChIKeyKVMFKWKJUKBBJL-JTQLQIEISA-N
MW391.26 g/mol
LogP4.12
Rot. Bonds3

About 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea

1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea (PubChem CID 1055839) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
PubChem CID1055839
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
SMILESC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C18H16Cl2N4O2/c1-10(21-18(26)22-13-6-3-11(19)4-7-13)16-23-15-9-12(20)5-8-14(15)17(25)24(16)2/h3-10H,1-2H3,(H2,21,22,26)/t10-/m0/s1
InChIKeyKVMFKWKJUKBBJL-JTQLQIEISA-N
XLogP4.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
CID 3895927
N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
CID 1055784
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 4573160
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 1055781
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
CID 110352028
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]urea
CID 42714963
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 4004323
4-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42715213

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea (CID 1055839) is 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea is C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea?
The InChIKey is KVMFKWKJUKBBJL-JTQLQIEISA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-10(21-18(26)22-13-6-3-11(19)4-7-13)16-23-15-9-12(20)5-8-14(15)17(25)24(16)2/h3-10H,1-2H3,(H2,21,22,26)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea?
1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea has a molecular weight of 391.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 1055839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).