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

C20H18N6O — CID 122186136

IUPACN-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
InChIInChI=1S/C20H18N6O/c1-2-18(27)22-14-9-7-13(8-10-14)19-23-16-6-4-3-5-15(16)20(25-19)24-17-11-12-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
InChIKeyRCFHUMWIPSPLDZ-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.11
Rot. Bonds5

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

N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide (PubChem CID 122186136) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
PubChem CID122186136
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
InChIInChI=1S/C20H18N6O/c1-2-18(27)22-14-9-7-13(8-10-14)19-23-16-6-4-3-5-15(16)20(25-19)24-17-11-12-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26)
InChIKeyRCFHUMWIPSPLDZ-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide (CID 122186136) is N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide?
The InChIKey is RCFHUMWIPSPLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-18(27)22-14-9-7-13(8-10-14)19-23-16-6-4-3-5-15(16)20(25-19)24-17-11-12-21-26-17/h3-12H,2H2,1H3,(H,22,27)(H2,21,23,24,25,26).
What are the key properties of N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide?
N-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]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-[4-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide is sourced from PubChem (CID 122186136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).