2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid

C19H14ClN3O2 — CID 10126045

IUPAC2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1-c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C19H14ClN3O2/c1-11-15(9-18(24)25)13-4-2-3-5-17(13)23(11)19-14-7-6-12(20)8-16(14)21-10-22-19/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyGAYWCUFHYFOKEC-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.16
Rot. Bonds3

About 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid

2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid (PubChem CID 10126045) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid
PubChem CID10126045
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1-c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C19H14ClN3O2/c1-11-15(9-18(24)25)13-4-2-3-5-17(13)23(11)19-14-7-6-12(20)8-16(14)21-10-22-19/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyGAYWCUFHYFOKEC-UHFFFAOYSA-N
XLogP4.16
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid (CID 10126045) is 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2ccccc2n1-c1ncnc2cc(Cl)ccc12.
What is the InChIKey of 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid?
The InChIKey is GAYWCUFHYFOKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-11-15(9-18(24)25)13-4-2-3-5-17(13)23(11)19-14-7-6-12(20)8-16(14)21-10-22-19/h2-8,10H,9H2,1H3,(H,24,25).
What are the key properties of 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid?
2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid has a molecular weight of 351.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 10126045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).