4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine

C14H10Cl2N4 — CID 80755119

IUPAC4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2Cl)c2ccccc2n1
InChIInChI=1S/C14H10Cl2N4/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(17)20-13/h1-7H,(H3,17,18,19,20)
InChIKeyQPCDVRQTMRYKGD-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.26
Rot. Bonds2

About 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine

4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine (PubChem CID 80755119) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
PubChem CID80755119
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2Cl)c2ccccc2n1
InChIInChI=1S/C14H10Cl2N4/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(17)20-13/h1-7H,(H3,17,18,19,20)
InChIKeyQPCDVRQTMRYKGD-UHFFFAOYSA-N
XLogP4.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
CID 80761965
4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine
CID 83073018
4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80755046
N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80912686
6-chloro-2-N-(2,3-dichlorophenyl)pyridine-2,3-diamine
CID 115473651
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729213
4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
CID 65337053
2-N-(2,3-dichlorophenyl)-6-methoxypyridine-2,3-diamine
CID 115320367
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
CID 80829921
N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072308

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine (CID 80755119) is 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine is Nc1nc(Nc2cccc(Cl)c2Cl)c2ccccc2n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine?
The InChIKey is QPCDVRQTMRYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(17)20-13/h1-7H,(H3,17,18,19,20).
What are the key properties of 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine?
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine has a molecular weight of 305.17 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80755119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).