1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid

C19H18ClN3O4 — CID 90233105

IUPAC1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
SMILESCOc1cccc(-n2c(C(C)NC(=O)O)nc3cccc(Cl)c3c2=O)c1C
InChIInChI=1S/C19H18ClN3O4/c1-10-14(8-5-9-15(10)27-3)23-17(11(2)21-19(25)26)22-13-7-4-6-12(20)16(13)18(23)24/h4-9,11,21H,1-3H3,(H,25,26)
InChIKeyNUWQYIHQRPTPOT-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.68
Rot. Bonds4

About 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid

1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid (PubChem CID 90233105) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
PubChem CID90233105
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
SMILESCOc1cccc(-n2c(C(C)NC(=O)O)nc3cccc(Cl)c3c2=O)c1C
InChIInChI=1S/C19H18ClN3O4/c1-10-14(8-5-9-15(10)27-3)23-17(11(2)21-19(25)26)22-13-7-4-6-12(20)16(13)18(23)24/h4-9,11,21H,1-3H3,(H,25,26)
InChIKeyNUWQYIHQRPTPOT-UHFFFAOYSA-N
XLogP3.68
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-chloro-3-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90235723
1-[5-chloro-3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90234958
1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90232864
1-[5-chloro-3-[3-[(2-methoxyphenyl)carbamoylamino]phenyl]-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 139556615
[(1S)-1-[3-(5-amino-3-pyridinyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 141422293
2-[(1R)-1-[[6-amino-5-[2-(3-fluoro-2-pyridinyl)ethynyl]pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(3-methoxy-2-methylphenyl)quinazolin-4-one
CID 90246352
(2S)-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 142740117
tert-butyl N-[(1S)-1-[5-chloro-3-(5-fluoro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 140645682
5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
CID 129190696
tert-butyl-[1-[3-(3-carbamoyl-2-methylphenyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 118571785
tert-butyl-[(1S)-1-[3-(3-carbamoyl-2-methylphenyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 118571782
1-[5-chloro-3-[3-(3-hydroxypropylcarbamoylamino)phenyl]-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 139556655

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid?
The IUPAC name of 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid (CID 90233105) is 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid?
The canonical SMILES for 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid is COc1cccc(-n2c(C(C)NC(=O)O)nc3cccc(Cl)c3c2=O)c1C.
What is the InChIKey of 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid?
The InChIKey is NUWQYIHQRPTPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-10-14(8-5-9-15(10)27-3)23-17(11(2)21-19(25)26)22-13-7-4-6-12(20)16(13)18(23)24/h4-9,11,21H,1-3H3,(H,25,26).
What are the key properties of 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid?
1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid has a molecular weight of 387.82 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid is sourced from PubChem (CID 90233105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).