4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine

C17H13ClN6 — CID 155562073

IUPAC4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
SMILESClc1cccc(Nc2nc(Nc3cn[nH]c3)nc3ccccc23)c1
InChIInChI=1S/C17H13ClN6/c18-11-4-3-5-12(8-11)21-16-14-6-1-2-7-15(14)23-17(24-16)22-13-9-19-20-10-13/h1-10H,(H,19,20)(H2,21,22,23,24)
InChIKeyWOAWRPMGRCGNEB-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.49
Rot. Bonds4

About 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine

4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine (PubChem CID 155562073) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
PubChem CID155562073
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
SMILESClc1cccc(Nc2nc(Nc3cn[nH]c3)nc3ccccc23)c1
InChIInChI=1S/C17H13ClN6/c18-11-4-3-5-12(8-11)21-16-14-6-1-2-7-15(14)23-17(24-16)22-13-9-19-20-10-13/h1-10H,(H,19,20)(H2,21,22,23,24)
InChIKeyWOAWRPMGRCGNEB-UHFFFAOYSA-N
XLogP4.49
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine (CID 155562073) is 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine is Clc1cccc(Nc2nc(Nc3cn[nH]c3)nc3ccccc23)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine?
The InChIKey is WOAWRPMGRCGNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c18-11-4-3-5-12(8-11)21-16-14-6-1-2-7-15(14)23-17(24-16)22-13-9-19-20-10-13/h1-10H,(H,19,20)(H2,21,22,23,24).
What are the key properties of 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine?
4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine has a molecular weight of 336.79 g/mol, XLogP of 4.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 155562073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).