2-(3-ethylphenyl)quinazoline-4-carboxylic acid

C17H14N2O2 — CID 159702981

IUPAC2-(3-ethylphenyl)quinazoline-4-carboxylic acid
SMILESCCc1cccc(-c2nc(C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C17H14N2O2/c1-2-11-6-5-7-12(10-11)16-18-14-9-4-3-8-13(14)15(19-16)17(20)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyQTWKGYQXBDQGTH-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.56
Rot. Bonds3

About 2-(3-ethylphenyl)quinazoline-4-carboxylic acid

2-(3-ethylphenyl)quinazoline-4-carboxylic acid (PubChem CID 159702981) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3-ethylphenyl)quinazoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylphenyl)quinazoline-4-carboxylic acid
PubChem CID159702981
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(3-ethylphenyl)quinazoline-4-carboxylic acid
SMILESCCc1cccc(-c2nc(C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C17H14N2O2/c1-2-11-6-5-7-12(10-11)16-18-14-9-4-3-8-13(14)15(19-16)17(20)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyQTWKGYQXBDQGTH-UHFFFAOYSA-N
XLogP3.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]quinazoline-4-carboxylic acid
CID 90410657
2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine
CID 88928804
(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754714
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
CID 115915027
3-ethylbenzoic acid;propane
CID 177324794
N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide
CID 142126077
2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine
CID 15022626
6-(3-butylphenyl)-12,14-diphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
CID 45278517
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid
CID 135012181

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)quinazoline-4-carboxylic acid?
The IUPAC name of 2-(3-ethylphenyl)quinazoline-4-carboxylic acid (CID 159702981) is 2-(3-ethylphenyl)quinazoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-ethylphenyl)quinazoline-4-carboxylic acid?
The canonical SMILES for 2-(3-ethylphenyl)quinazoline-4-carboxylic acid is CCc1cccc(-c2nc(C(=O)O)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-ethylphenyl)quinazoline-4-carboxylic acid?
The InChIKey is QTWKGYQXBDQGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-11-6-5-7-12(10-11)16-18-14-9-4-3-8-13(14)15(19-16)17(20)21/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 2-(3-ethylphenyl)quinazoline-4-carboxylic acid?
2-(3-ethylphenyl)quinazoline-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)quinazoline-4-carboxylic acid is sourced from PubChem (CID 159702981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).