2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid

C18H16ClN3O4 — CID 90237261

IUPAC2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
SMILESCOc1cccc(-n2c(CCNC(=O)O)nc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C18H16ClN3O4/c1-26-12-5-2-4-11(10-12)22-15(8-9-20-18(24)25)21-14-7-3-6-13(19)16(14)17(22)23/h2-7,10,20H,8-9H2,1H3,(H,24,25)
InChIKeyMPQBKBWPNPLWJH-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.86
Rot. Bonds5

About 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid

2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid (PubChem CID 90237261) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
PubChem CID90237261
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
SMILESCOc1cccc(-n2c(CCNC(=O)O)nc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C18H16ClN3O4/c1-26-12-5-2-4-11(10-12)22-15(8-9-20-18(24)25)21-14-7-3-6-13(19)16(14)17(22)23/h2-7,10,20H,8-9H2,1H3,(H,24,25)
InChIKeyMPQBKBWPNPLWJH-UHFFFAOYSA-N
XLogP2.86
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 122540146
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281
2-[5-chloro-3-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 118578358
5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
CID 129190696
2-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 71226905
3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824068
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
tert-butyl N-[2-(5-chloro-8-fluoro-4-oxo-3-phenylquinazolin-2-yl)ethyl]carbamate
CID 90236466
1-[5-chloro-3-[3-(3-hydroxypropylcarbamoylamino)phenyl]-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 139556655
2,4-diamino-6-[2-[5-chloro-3-(3-cyanophenyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90238006
[1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]-3-methylbutyl]carbamic acid
CID 90235469
3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
CID 134364823

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid (CID 90237261) is 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid is COc1cccc(-n2c(CCNC(=O)O)nc3cccc(Cl)c3c2=O)c1.
What is the InChIKey of 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid?
The InChIKey is MPQBKBWPNPLWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-26-12-5-2-4-11(10-12)22-15(8-9-20-18(24)25)21-14-7-3-6-13(19)16(14)17(22)23/h2-7,10,20H,8-9H2,1H3,(H,24,25).
What are the key properties of 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid?
2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid has a molecular weight of 373.80 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid is sourced from PubChem (CID 90237261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).