2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride

C14H12Cl2N4 — CID 2953146

IUPAC2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C14H11ClN4.ClH/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14;/h1-8H,(H3,16,17,18,19);1H
InChIKeyVVGZIBUAVHMPBR-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.03
Rot. Bonds2

About 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride

2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 2953146) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID2953146
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C14H11ClN4.ClH/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14;/h1-8H,(H3,16,17,18,19);1H
InChIKeyVVGZIBUAVHMPBR-UHFFFAOYSA-N
XLogP4.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride (CID 2953146) is 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride is Cl.Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is VVGZIBUAVHMPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4.ClH/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14;/h1-8H,(H3,16,17,18,19);1H.
What are the key properties of 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride?
2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 307.18 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 2953146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).