4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid

C22H20N6O3 — CID 135921466

IUPAC4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1Nc1nc(-c2ccccc2O)nc2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C22H20N6O3/c29-19-4-2-1-3-15(19)21-26-17-7-12(13-8-24-25-9-13)5-6-14(17)20(28-21)27-18-11-23-10-16(18)22(30)31/h1-9,16,18,23,29H,10-11H2,(H,24,25)(H,30,31)(H,26,27,28)
InChIKeyCZEVHLYXRGPHGD-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.48
Rot. Bonds5

About 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid

4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid (PubChem CID 135921466) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid
PubChem CID135921466
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1Nc1nc(-c2ccccc2O)nc2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C22H20N6O3/c29-19-4-2-1-3-15(19)21-26-17-7-12(13-8-24-25-9-13)5-6-14(17)20(28-21)27-18-11-23-10-16(18)22(30)31/h1-9,16,18,23,29H,10-11H2,(H,24,25)(H,30,31)(H,26,27,28)
InChIKeyCZEVHLYXRGPHGD-UHFFFAOYSA-N
XLogP2.48
TPSA136.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

4-(1h-Pyrazol-5-Yl)-2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566382
2-(4-((3s,4r)-4-(2-Hydroxypropan-2-yl)pyrrolidin-3-ylamino)quinazolin-2-yl)-4-(1h-pyrazol-4-yl)phenol
CID 136068463
2-(4-((3s,4r)-4-(2-Hydroxypropan-2-yl)pyrrolidin-3-ylamino)quinazolin-2-yl)-4-(1h-pyrazol-3-yl)phenol
CID 136068516
(s)-4-(1h-Pyrazol-4-yl)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol
CID 136068537
4-(1H-pyrazol-5-yl)-2-[4-[[(3S)-pyrrolidin-1-ium-3-yl]amino]quinazolin-2-yl]phenol
CID 136246371
4-(((2-(1h-Pyrazol-5-yl)-7-(4-vinylphenyl)quinazolin-4-yl)amino)methyl)benzoic acid
CID 176911481
(S)-2-(7-(1H-Pyrazol-4-yl)-4-(pyrrolidin-3-ylamino)quinazolin-2-yl)-4-fluorophenol
CID 135921473
(3R)-4-[[2-(5-fluoro-2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid
CID 136068532
4-fluoro-2-[7-(1H-pyrazol-4-yl)-4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol
CID 136349916
(3S,4R)-4-[[2-(5-fluoro-2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid
CID 136398369
4-[[2-(5-Fluoro-2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid
CID 136398371
(3R,4S)-4-[[2-(5-fluoro-2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid
CID 136398372

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid (CID 135921466) is 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid is O=C(O)C1CNCC1Nc1nc(-c2ccccc2O)nc2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid?
The InChIKey is CZEVHLYXRGPHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-19-4-2-1-3-15(19)21-26-17-7-12(13-8-24-25-9-13)5-6-14(17)20(28-21)27-18-11-23-10-16(18)22(30)31/h1-9,16,18,23,29H,10-11H2,(H,24,25)(H,30,31)(H,26,27,28).
What are the key properties of 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid?
4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid has a molecular weight of 416.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyphenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 135921466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).