2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid

C20H18N6O2 — CID 20604256

IUPAC2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid
SMILESCc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)ccc1CC(=O)O
InChIInChI=1S/C20H18N6O2/c1-12-10-14(7-6-13(12)11-18(27)28)22-20-23-16-5-3-2-4-15(16)19(25-20)24-17-8-9-21-26-17/h2-10H,11H2,1H3,(H,27,28)(H3,21,22,23,24,25,26)
InChIKeyKABYJCKJNLUUKE-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.78
Rot. Bonds6

About 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid

2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid (PubChem CID 20604256) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid
PubChem CID20604256
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid
SMILESCc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)ccc1CC(=O)O
InChIInChI=1S/C20H18N6O2/c1-12-10-14(7-6-13(12)11-18(27)28)22-20-23-16-5-3-2-4-15(16)19(25-20)24-17-8-9-21-26-17/h2-10H,11H2,1H3,(H,27,28)(H3,21,22,23,24,25,26)
InChIKeyKABYJCKJNLUUKE-UHFFFAOYSA-N
XLogP3.78
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
CID 44820629
N-[3-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
CID 122186135
N-[2-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
CID 122186134
N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
CID 122186136
2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenyl]acetic acid
CID 126962183
4-(((2-(1h-Pyrazol-5-yl)-7-(4-vinylphenyl)quinazolin-4-yl)amino)methyl)benzoic acid
CID 176911481
4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol
CID 91447738
2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol
CID 91602679
2-[4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2,5-difluorophenyl]acetic acid
CID 134448308
2-[4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2,3-difluorophenyl]-2-methylpropanoic acid
CID 134448412
2-[4-[5-(1,1-Difluorobut-3-enyl)-4-[[[4-[3-[4-(dimethylamino)quinazolin-2-yl]butyl]cyclohexyl]methylamino]methyl]pyrazol-1-yl]phenyl]acetate
CID 142228545
2-[4-[[4-amino-3-(1H-indazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-2,5-difluorophenyl]acetic acid
CID 146178922

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid (CID 20604256) is 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid is Cc1cc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)ccc1CC(=O)O.
What is the InChIKey of 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid?
The InChIKey is KABYJCKJNLUUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-10-14(7-6-13(12)11-18(27)28)22-20-23-16-5-3-2-4-15(16)19(25-20)24-17-8-9-21-26-17/h2-10H,11H2,1H3,(H,27,28)(H3,21,22,23,24,25,26).
What are the key properties of 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid?
2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid has a molecular weight of 374.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid is sourced from PubChem (CID 20604256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).