N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide

C20H18N6O — CID 44820629

IUPACN-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(Nc3ccn[nH]3)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H18N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
InChIKeyPXXRUTHYKIZABM-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.11
Rot. Bonds5

About N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide

N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide (PubChem CID 44820629) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide.

Molecular Properties

Compound NameN-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
PubChem CID44820629
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(Nc3ccn[nH]3)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H18N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
InChIKeyPXXRUTHYKIZABM-UHFFFAOYSA-N
XLogP4.11
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-[4-(Quinazolin-4-Ylamino)phenyl]urea
CID 60202316
N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
CID 134812662
N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-ylthio)phenyl)propionamide
CID 10179373
n-[4-(3-Amino-1h-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-n'-(3-methylphenyl)urea
CID 11646161
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide
CID 70686473
Diarylurea deriv. 14a
CID 5330597
1-{3-[(6-Aminoquinazolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]urea
CID 42608443
N-[2-Phenyl-4-(1h-Pyrazol-3-Ylamino)quinazolin-7-Yl]prop-2-Enamide
CID 49867019
1,4-Hybrid, 5
CID 70701950
N-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide
CID 73346024
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide
CID 162540425

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide?
The IUPAC name of N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide (CID 44820629) is N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide.
What is the SMILES notation for N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide?
The canonical SMILES for N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide is CCC(=O)Nc1ccc2c(Nc3ccn[nH]3)nc(-c3ccccc3)nc2c1.
What is the InChIKey of N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide?
The InChIKey is PXXRUTHYKIZABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26).
What are the key properties of N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide?
N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide has a molecular weight of 358.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide is sourced from PubChem (CID 44820629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).