2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid

C15H14FN3O2 — CID 107793542

IUPAC2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2ncnc3c2CCCC3)cc1F
InChIInChI=1S/C15H14FN3O2/c16-12-7-9(5-6-10(12)15(20)21)19-14-11-3-1-2-4-13(11)17-8-18-14/h5-8H,1-4H2,(H,20,21)(H,17,18,19)
InChIKeyCNSRGMMYGBGFCP-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.94
Rot. Bonds3

About 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid

2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid (PubChem CID 107793542) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid
PubChem CID107793542
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2ncnc3c2CCCC3)cc1F
InChIInChI=1S/C15H14FN3O2/c16-12-7-9(5-6-10(12)15(20)21)19-14-11-3-1-2-4-13(11)17-8-18-14/h5-8H,1-4H2,(H,20,21)(H,17,18,19)
InChIKeyCNSRGMMYGBGFCP-UHFFFAOYSA-N
XLogP2.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid
CID 107793480
2-fluoro-4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 107793250
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-fluorobenzoic acid
CID 107793322
2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid
CID 107793344
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-one
CID 19968928
4-(4-fluoro-3-methylanilino)pyrimidine-5-carboxylic acid
CID 115148840
4-[(4,6-dimethylpyrimidin-2-yl)amino]-2-fluorobenzoic acid
CID 114002149
2-fluoro-4-[(5-methyl-3-nitro-2-pyridinyl)amino]benzoic acid
CID 107793252
4-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-fluorobenzoic acid
CID 107793302
N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 167974744
N-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102184

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid (CID 107793542) is 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid is O=C(O)c1ccc(Nc2ncnc3c2CCCC3)cc1F.
What is the InChIKey of 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid?
The InChIKey is CNSRGMMYGBGFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-7-9(5-6-10(12)15(20)21)19-14-11-3-1-2-4-13(11)17-8-18-14/h5-8H,1-4H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid?
2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid is sourced from PubChem (CID 107793542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).