N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine

C24H16F3N3O2 — CID 163201781

IUPACN-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine
SMILESFC(F)(F)Oc1ccc(-c2cc3cc(CNc4ncnc5ccccc45)ccc3o2)cc1
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)32-18-8-6-16(7-9-18)22-12-17-11-15(5-10-21(17)31-22)13-28-23-19-3-1-2-4-20(19)29-14-30-23/h1-12,14H,13H2,(H,28,29,30)
InChIKeyTYTNHIGZJIEGNH-UHFFFAOYSA-N
MW435.41 g/mol
LogP6.55
Rot. Bonds5

About N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine

N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine (PubChem CID 163201781) has the molecular formula C24H16F3N3O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine
PubChem CID163201781
Molecular FormulaC24H16F3N3O2
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC NameN-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine
SMILESFC(F)(F)Oc1ccc(-c2cc3cc(CNc4ncnc5ccccc45)ccc3o2)cc1
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)32-18-8-6-16(7-9-18)22-12-17-11-15(5-10-21(17)31-22)13-28-23-19-3-1-2-4-20(19)29-14-30-23/h1-12,14H,13H2,(H,28,29,30)
InChIKeyTYTNHIGZJIEGNH-UHFFFAOYSA-N
XLogP6.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine
CID 22609796
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234345
N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine
CID 3234647
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3234739
4-[((1R)-1-{3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl}ethyl)amino]quinazoline-8-carboxamide
CID 66762311
4-[[4-Fluoro-3-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762573
4-[1-[3-[[4-(Trifluoromethoxy)benzoyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66762825
4-[[3-(Dimethylamino)-1-[3-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66762832
4-[[3-[[4-Methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762835
4-{1-[3-(3-Fluoro-4-methoxy-benzoylamino)-phenyl]-ethylamino}-quinazoline-8-carboxylic acid amide
CID 66763266
4-[[3-[(2,6-Difluoro-4-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763336
4-[[3-(2,3-Dihydro-1-benzofuran-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide
CID 66763392

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine?
The IUPAC name of N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine (CID 163201781) is N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine?
The canonical SMILES for N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine is FC(F)(F)Oc1ccc(-c2cc3cc(CNc4ncnc5ccccc45)ccc3o2)cc1.
What is the InChIKey of N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine?
The InChIKey is TYTNHIGZJIEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O2/c25-24(26,27)32-18-8-6-16(7-9-18)22-12-17-11-15(5-10-21(17)31-22)13-28-23-19-3-1-2-4-20(19)29-14-30-23/h1-12,14H,13H2,(H,28,29,30).
What are the key properties of N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine?
N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine has a molecular weight of 435.41 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 163201781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).