2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid

C22H17N3O2 — CID 71624960

IUPAC2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H17N3O2/c26-20(27)14-15-10-12-17(13-11-15)23-22-18-8-4-5-9-19(18)24-21(25-22)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,27)(H,23,24,25)
InChIKeyOZPGHGTUKSZMER-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.67
Rot. Bonds5

About 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid

2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid (PubChem CID 71624960) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid
PubChem CID71624960
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H17N3O2/c26-20(27)14-15-10-12-17(13-11-15)23-22-18-8-4-5-9-19(18)24-21(25-22)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,27)(H,23,24,25)
InChIKeyOZPGHGTUKSZMER-UHFFFAOYSA-N
XLogP4.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Oxo-3-phenyl-5-(2-quinolinylamino)pentanoic acid
CID 2812816
3-[(6-Methylquinazolin-4-yl)amino]benzoic acid
CID 735129
3-{[2-(Trifluoromethyl)-4-quinazolinyl]amino}benzoic acid hydrochloride
CID 2990613
2-{1-[2-Oxo-2-(2-quinolinylamino)ethyl]cyclohexyl}acetic acid
CID 2738330
4-(4-Quinazolinylamino)benzoic acid hydrochloride
CID 2788197
4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid
CID 776448
4-{[2-(4-Nitrophenyl)quinazolin-4-yl]amino}benzoic acid
CID 1187249
2-[4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 71624844
2-(4-((5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino)phenyl)acetic acid
CID 71624964
ACETIC ACID, p-(9-ACRIDINYLAMINO)PHENYL-
CID 47480
4-Quinolinecarboxylic acid, 2-(phenylamino)-
CID 3075053
4-((Quinazolin-4-yl)amino)benzoic acid
CID 693080

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid (CID 71624960) is 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid?
The InChIKey is OZPGHGTUKSZMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-20(27)14-15-10-12-17(13-11-15)23-22-18-8-4-5-9-19(18)24-21(25-22)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,27)(H,23,24,25).
What are the key properties of 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid?
2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid has a molecular weight of 355.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 71624960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).