2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine

C20H21F2N3O — CID 56575108

IUPAC2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine
SMILESCOc1ccc(C(Nc2nc(C(F)F)nc3ccccc23)C(C)C)cc1
InChIInChI=1S/C20H21F2N3O/c1-12(2)17(13-8-10-14(26-3)11-9-13)24-19-15-6-4-5-7-16(15)23-20(25-19)18(21)22/h4-12,17-18H,1-3H3,(H,23,24,25)
InChIKeyOYSARLYGNKGULC-UHFFFAOYSA-N
MW357.40 g/mol
LogP5.39
Rot. Bonds6

About 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine

2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine (PubChem CID 56575108) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine
PubChem CID56575108
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine
SMILESCOc1ccc(C(Nc2nc(C(F)F)nc3ccccc23)C(C)C)cc1
InChIInChI=1S/C20H21F2N3O/c1-12(2)17(13-8-10-14(26-3)11-9-13)24-19-15-6-4-5-7-16(15)23-20(25-19)18(21)22/h4-12,17-18H,1-3H3,(H,23,24,25)
InChIKeyOYSARLYGNKGULC-UHFFFAOYSA-N
XLogP5.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122050851
(2S)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122049640
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine
CID 175678331
N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine
CID 56553921
2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 95769191
1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105095031
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 92725678
2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine
CID 133414736
2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline
CID 133311623
N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine
CID 133362263
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 56553646
2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine
CID 133399873

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine (CID 56575108) is 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine is COc1ccc(C(Nc2nc(C(F)F)nc3ccccc23)C(C)C)cc1.
What is the InChIKey of 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine?
The InChIKey is OYSARLYGNKGULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-12(2)17(13-8-10-14(26-3)11-9-13)24-19-15-6-4-5-7-16(15)23-20(25-19)18(21)22/h4-12,17-18H,1-3H3,(H,23,24,25).
What are the key properties of 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine?
2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine has a molecular weight of 357.40 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine is sourced from PubChem (CID 56575108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).