3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid

C20H17N5O2 — CID 23761575

IUPAC3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H17N5O2/c26-20(27)17(10-14-11-21-12-22-14)24-19-15-8-4-5-9-16(15)23-18(25-19)13-6-2-1-3-7-13/h1-9,11-12,17H,10H2,(H,21,22)(H,26,27)(H,23,24,25)
InChIKeyLSGKEGOYUVTQOP-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.13
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid

3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid (PubChem CID 23761575) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
PubChem CID23761575
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H17N5O2/c26-20(27)17(10-14-11-21-12-22-14)24-19-15-8-4-5-9-16(15)23-18(25-19)13-6-2-1-3-7-13/h1-9,11-12,17H,10H2,(H,21,22)(H,26,27)(H,23,24,25)
InChIKeyLSGKEGOYUVTQOP-UHFFFAOYSA-N
XLogP3.13
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid with MolForge

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
CID 24874502
(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
CID 6926985
(2R)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 22798985
3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 82022252
(2S)-2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 87120350
(2R)-2-(benzylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 11055328
CID 162305209
CID 162305209
2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 43184154
(2S)-3-(1H-imidazol-5-yl)-2-(phenylcarbamoylamino)propanoic acid
CID 30052227
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837
2-[(6-ethyl-5-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135340121
2-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 22144096

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid (CID 23761575) is 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid is O=C(O)C(Cc1cnc[nH]1)Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid?
The InChIKey is LSGKEGOYUVTQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-20(27)17(10-14-11-21-12-22-14)24-19-15-8-4-5-9-16(15)23-18(25-19)13-6-2-1-3-7-13/h1-9,11-12,17H,10H2,(H,21,22)(H,26,27)(H,23,24,25).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid has a molecular weight of 359.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 23761575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).