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

C19H14ClFN4O — CID 39861440

IUPAC2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESFc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1Cl
InChIInChI=1S/C19H14ClFN4O/c20-15-10-12(7-8-16(15)21)23-19-24-17-6-2-1-5-14(17)18(25-19)22-11-13-4-3-9-26-13/h1-10H,11H2,(H2,22,23,24,25)
InChIKeyFJTHZHRWTCMHQO-UHFFFAOYSA-N
MW368.80 g/mol
LogP5.37
Rot. Bonds5

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

2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 39861440) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID39861440
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESFc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1Cl
InChIInChI=1S/C19H14ClFN4O/c20-15-10-12(7-8-16(15)21)23-19-24-17-6-2-1-5-14(17)18(25-19)22-11-13-4-3-9-26-13/h1-10H,11H2,(H2,22,23,24,25)
InChIKeyFJTHZHRWTCMHQO-UHFFFAOYSA-N
XLogP5.37
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.80
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431
2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889200
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
CID 11689305
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
4-fluoro-N-[4-[[[2-(furan-2-ylmethylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68940813
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
CID 71690720
2-N-(3-chloro-4-fluorophenyl)-4-N-(1-cyclopentylethyl)quinazoline-2,4-diamine
CID 164754266
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936767
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (CID 39861440) is 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is Fc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is FJTHZHRWTCMHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c20-15-10-12(7-8-16(15)21)23-19-24-17-6-2-1-5-14(17)18(25-19)22-11-13-4-3-9-26-13/h1-10H,11H2,(H2,22,23,24,25).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 368.80 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 39861440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).