2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine

C28H27ClFN3 — CID 142127288

IUPAC2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine
SMILESC=C(Nc1nc(-c2ccccc2Cl)nc2ccccc12)c1cc(F)ccc1C(CC)CCC
InChIInChI=1S/C28H27ClFN3/c1-4-10-19(5-2)21-16-15-20(30)17-24(21)18(3)31-28-23-12-7-9-14-26(23)32-27(33-28)22-11-6-8-13-25(22)29/h6-9,11-17,19H,3-5,10H2,1-2H3,(H,31,32,33)
InChIKeyLRKOGYJVQDKTDH-UHFFFAOYSA-N
MW460.00 g/mol
LogP8.47
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine

2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine (PubChem CID 142127288) has the molecular formula C28H27ClFN3 and a molecular weight of 460.00 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine
PubChem CID142127288
Molecular FormulaC28H27ClFN3
Molecular Weight460.00 g/mol
Exact Mass459.19
IUPAC Name2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine
SMILESC=C(Nc1nc(-c2ccccc2Cl)nc2ccccc12)c1cc(F)ccc1C(CC)CCC
InChIInChI=1S/C28H27ClFN3/c1-4-10-19(5-2)21-16-15-20(30)17-24(21)18(3)31-28-23-12-7-9-14-26(23)32-27(33-28)22-11-6-8-13-25(22)29/h6-9,11-17,19H,3-5,10H2,1-2H3,(H,31,32,33)
InChIKeyLRKOGYJVQDKTDH-UHFFFAOYSA-N
XLogP8.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.00
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3,5-difluoro-2-(propylamino)phenyl]ethenyl]-2-(2-propan-2-ylphenyl)quinazolin-4-amine
CID 142127006
N-butan-2-yl-2-(2-chlorophenyl)quinazolin-4-amine
CID 23796400
2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
CID 64981421
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane
CID 142127606
N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide
CID 142126651
2-(2-chlorophenyl)-7-fluoro-4-methylquinazoline
CID 141298320
2-(2-chlorophenyl)-4-ethoxyquinazoline
CID 914488
2-(2-chlorophenyl)-7-fluoroquinazolin-4-amine
CID 64983741
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
CID 3810080
4-chloro-2-(2-chlorophenyl)-6-propylquinazoline
CID 114590720
2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
CID 3764445

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine (CID 142127288) is 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine is C=C(Nc1nc(-c2ccccc2Cl)nc2ccccc12)c1cc(F)ccc1C(CC)CCC.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine?
The InChIKey is LRKOGYJVQDKTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN3/c1-4-10-19(5-2)21-16-15-20(30)17-24(21)18(3)31-28-23-12-7-9-14-26(23)32-27(33-28)22-11-6-8-13-25(22)29/h6-9,11-17,19H,3-5,10H2,1-2H3,(H,31,32,33).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine?
2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine has a molecular weight of 460.00 g/mol, XLogP of 8.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine is sourced from PubChem (CID 142127288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).