4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine

C24H20N6 — CID 10178621

IUPAC4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3cccc(-c4ccccc4)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C24H20N6/c1-16-14-22(30-29-16)27-23-20-12-5-6-13-21(20)26-24(28-23)25-19-11-7-10-18(15-19)17-8-3-2-4-9-17/h2-15H,1H3,(H3,25,26,27,28,29,30)
InChIKeyDPRGICRKHDEMAP-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.82
Rot. Bonds5

About 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine

4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine (PubChem CID 10178621) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
PubChem CID10178621
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3cccc(-c4ccccc4)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C24H20N6/c1-16-14-22(30-29-16)27-23-20-12-5-6-13-21(20)26-24(28-23)25-19-11-7-10-18(15-19)17-8-3-2-4-9-17/h2-15H,1H3,(H3,25,26,27,28,29,30)
InChIKeyDPRGICRKHDEMAP-UHFFFAOYSA-N
XLogP5.82
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine (CID 10178621) is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine is Cc1cc(Nc2nc(Nc3cccc(-c4ccccc4)c3)nc3ccccc23)n[nH]1.
What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine?
The InChIKey is DPRGICRKHDEMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-16-14-22(30-29-16)27-23-20-12-5-6-13-21(20)26-24(28-23)25-19-11-7-10-18(15-19)17-8-3-2-4-9-17/h2-15H,1H3,(H3,25,26,27,28,29,30).
What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine?
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine has a molecular weight of 392.47 g/mol, XLogP of 5.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 10178621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).