4-phenylmethoxyquinazoline-7-carboxylic acid

C16H12N2O3 — CID 63262504

IUPAC4-phenylmethoxyquinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(OCc3ccccc3)ncnc2c1
InChIInChI=1S/C16H12N2O3/c19-16(20)12-6-7-13-14(8-12)17-10-18-15(13)21-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)
InChIKeyQLWXMWBDEHCHDX-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.91
Rot. Bonds4

About 4-phenylmethoxyquinazoline-7-carboxylic acid

4-phenylmethoxyquinazoline-7-carboxylic acid (PubChem CID 63262504) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-phenylmethoxyquinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-phenylmethoxyquinazoline-7-carboxylic acid
PubChem CID63262504
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4-phenylmethoxyquinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(OCc3ccccc3)ncnc2c1
InChIInChI=1S/C16H12N2O3/c19-16(20)12-6-7-13-14(8-12)17-10-18-15(13)21-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)
InChIKeyQLWXMWBDEHCHDX-UHFFFAOYSA-N
XLogP2.91
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
CID 63263288
4-heptoxyquinazoline-7-carboxylic acid
CID 63461088
4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
CID 63263409
4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
CID 106200364
4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
CID 106200426
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
4-phenylmethoxybenzoic acid
CID 68896574
4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid
CID 71469690
4-[(4-chlorophenyl)methoxy]quinazoline
CID 55327565
4-anilino-3-phenylmethoxybenzoic acid
CID 123431173

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxyquinazoline-7-carboxylic acid?
The IUPAC name of 4-phenylmethoxyquinazoline-7-carboxylic acid (CID 63262504) is 4-phenylmethoxyquinazoline-7-carboxylic acid.
What is the SMILES notation for 4-phenylmethoxyquinazoline-7-carboxylic acid?
The canonical SMILES for 4-phenylmethoxyquinazoline-7-carboxylic acid is O=C(O)c1ccc2c(OCc3ccccc3)ncnc2c1.
What is the InChIKey of 4-phenylmethoxyquinazoline-7-carboxylic acid?
The InChIKey is QLWXMWBDEHCHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-16(20)12-6-7-13-14(8-12)17-10-18-15(13)21-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20).
What are the key properties of 4-phenylmethoxyquinazoline-7-carboxylic acid?
4-phenylmethoxyquinazoline-7-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxyquinazoline-7-carboxylic acid is sourced from PubChem (CID 63262504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).