4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine

C18H16N6O — CID 155566641

IUPAC4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cn[nH]c3)nc3ccccc23)cc1
InChIInChI=1S/C18H16N6O/c1-25-14-8-6-12(7-9-14)21-17-15-4-2-3-5-16(15)23-18(24-17)22-13-10-19-20-11-13/h2-11H,1H3,(H,19,20)(H2,21,22,23,24)
InChIKeyVRBXHVJMVRTVGN-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.85
Rot. Bonds5

About 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine

4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine (PubChem CID 155566641) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
PubChem CID155566641
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cn[nH]c3)nc3ccccc23)cc1
InChIInChI=1S/C18H16N6O/c1-25-14-8-6-12(7-9-14)21-17-15-4-2-3-5-16(15)23-18(24-17)22-13-10-19-20-11-13/h2-11H,1H3,(H,19,20)(H2,21,22,23,24)
InChIKeyVRBXHVJMVRTVGN-UHFFFAOYSA-N
XLogP3.85
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine (CID 155566641) is 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine is COc1ccc(Nc2nc(Nc3cn[nH]c3)nc3ccccc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine?
The InChIKey is VRBXHVJMVRTVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-25-14-8-6-12(7-9-14)21-17-15-4-2-3-5-16(15)23-18(24-17)22-13-10-19-20-11-13/h2-11H,1H3,(H,19,20)(H2,21,22,23,24).
What are the key properties of 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine?
4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine has a molecular weight of 332.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 155566641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).