2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid

C20H16ClN3O3 — CID 21436069

IUPAC2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid
SMILESCOc1ccc2c(cc(C)n2-c2ncnc3cc(Cl)ccc23)c1CC(=O)O
InChIInChI=1S/C20H16ClN3O3/c1-11-7-14-15(9-19(25)26)18(27-2)6-5-17(14)24(11)20-13-4-3-12(21)8-16(13)22-10-23-20/h3-8,10H,9H2,1-2H3,(H,25,26)
InChIKeyOTOFUYBZVYLVHD-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.17
Rot. Bonds4

About 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid

2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid (PubChem CID 21436069) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid
PubChem CID21436069
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid
SMILESCOc1ccc2c(cc(C)n2-c2ncnc3cc(Cl)ccc23)c1CC(=O)O
InChIInChI=1S/C20H16ClN3O3/c1-11-7-14-15(9-19(25)26)18(27-2)6-5-17(14)24(11)20-13-4-3-12(21)8-16(13)22-10-23-20/h3-8,10H,9H2,1-2H3,(H,25,26)
InChIKeyOTOFUYBZVYLVHD-UHFFFAOYSA-N
XLogP4.17
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid
CID 10126045
phenyl 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetate
CID 21449391
2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid
CID 82305214
N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide
CID 24507939
2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 21449397
2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid
CID 18932750
2-[2-(5-chloro-2-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3378877
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid
CID 84634455
2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
CID 82420521
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid?
The IUPAC name of 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid (CID 21436069) is 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid is COc1ccc2c(cc(C)n2-c2ncnc3cc(Cl)ccc23)c1CC(=O)O.
What is the InChIKey of 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid?
The InChIKey is OTOFUYBZVYLVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-11-7-14-15(9-19(25)26)18(27-2)6-5-17(14)24(11)20-13-4-3-12(21)8-16(13)22-10-23-20/h3-8,10H,9H2,1-2H3,(H,25,26).
What are the key properties of 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid?
2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid has a molecular weight of 381.82 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid is sourced from PubChem (CID 21436069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).