2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

C19H15ClN4O — CID 1285085

IUPAC2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKeyKLRNKMZSARWWTH-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.23
Rot. Bonds5

About 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 1285085) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID1285085
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKeyKLRNKMZSARWWTH-UHFFFAOYSA-N
XLogP5.23
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_A(3)', 'substructure': 'N/A'}

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Related Compounds

9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
CID 2690
4-[2-(Furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
CID 57339806
N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
CID 2910633
CID 2910633
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea
CID 10225178
2-chloro-N-(furan-2-ylmethyl)quinazolin-4-amine
CID 1599048
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
CID 2952918
CID 2952918
6-chloro-N-(furan-3-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25147771
N2-(4-Chlorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2910602
N4-(furan-2-ylmethyl)-N2-(2-methoxyphenyl)quinazoline-2,4-diamine hydrochloride
CID 16682278

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (CID 1285085) is 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is Clc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is KLRNKMZSARWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 350.81 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 1285085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).