2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine

C17H22F2N4 — CID 95769191

IUPAC2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
SMILESC[C@H](Nc1nc(C(F)F)nc2ccccc12)C1CCN(C)CC1
InChIInChI=1S/C17H22F2N4/c1-11(12-7-9-23(2)10-8-12)20-16-13-5-3-4-6-14(13)21-17(22-16)15(18)19/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,21,22)/t11-/m0/s1
InChIKeyRPVXTMQJJDARPW-NSHDSACASA-N
MW320.39 g/mol
LogP3.71
Rot. Bonds4

About 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine

2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine (PubChem CID 95769191) has the molecular formula C17H22F2N4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
PubChem CID95769191
Molecular FormulaC17H22F2N4
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
SMILESC[C@H](Nc1nc(C(F)F)nc2ccccc12)C1CCN(C)CC1
InChIInChI=1S/C17H22F2N4/c1-11(12-7-9-23(2)10-8-12)20-16-13-5-3-4-6-14(13)21-17(22-16)15(18)19/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,21,22)/t11-/m0/s1
InChIKeyRPVXTMQJJDARPW-NSHDSACASA-N
XLogP3.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine
CID 43307464
(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
N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine
CID 133362263
1-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366706
N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine
CID 56553921
2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine
CID 56575108
2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43307604
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline
CID 43307621
2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
CID 164754230
2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
CID 133381147

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine (CID 95769191) is 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine is C[C@H](Nc1nc(C(F)F)nc2ccccc12)C1CCN(C)CC1.
What is the InChIKey of 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine?
The InChIKey is RPVXTMQJJDARPW-NSHDSACASA-N. The full InChI is InChI=1S/C17H22F2N4/c1-11(12-7-9-23(2)10-8-12)20-16-13-5-3-4-6-14(13)21-17(22-16)15(18)19/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,21,22)/t11-/m0/s1.
What are the key properties of 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine?
2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine has a molecular weight of 320.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 95769191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).