3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea

C14H17ClN4O2 — CID 4661015

IUPAC3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
SMILESCC(NC(=O)N(C)C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C14H17ClN4O2/c1-8(16-14(21)18(2)3)12-17-11-7-9(15)5-6-10(11)13(20)19(12)4/h5-8H,1-4H3,(H,16,21)
InChIKeyPVSUJLZWNLEMGJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.92
Rot. Bonds2

About 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea

3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea (PubChem CID 4661015) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
PubChem CID4661015
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
SMILESCC(NC(=O)N(C)C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C14H17ClN4O2/c1-8(16-14(21)18(2)3)12-17-11-7-9(15)5-6-10(11)13(20)19(12)4/h5-8H,1-4H3,(H,16,21)
InChIKeyPVSUJLZWNLEMGJ-UHFFFAOYSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 1055839
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
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
CID 3895927
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-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]urea
CID 42714963
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42715106
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
CID 42712294

Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea (CID 4661015) is 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea is CC(NC(=O)N(C)C)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea?
The InChIKey is PVSUJLZWNLEMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-8(16-14(21)18(2)3)12-17-11-7-9(15)5-6-10(11)13(20)19(12)4/h5-8H,1-4H3,(H,16,21).
What are the key properties of 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea?
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea has a molecular weight of 308.77 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 4661015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).