4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol

C19H19F2N3O — CID 133495767

IUPAC4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol
SMILESCC(O)(CCNc1nc(C(F)F)nc2ccccc12)c1ccccc1
InChIInChI=1S/C19H19F2N3O/c1-19(25,13-7-3-2-4-8-13)11-12-22-17-14-9-5-6-10-15(14)23-18(24-17)16(20)21/h2-10,16,25H,11-12H2,1H3,(H,22,23,24)
InChIKeyHSEJOVTYVRQRBO-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.28
Rot. Bonds6

About 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol

4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol (PubChem CID 133495767) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol
PubChem CID133495767
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol
SMILESCC(O)(CCNc1nc(C(F)F)nc2ccccc12)c1ccccc1
InChIInChI=1S/C19H19F2N3O/c1-19(25,13-7-3-2-4-8-13)11-12-22-17-14-9-5-6-10-15(14)23-18(24-17)16(20)21/h2-10,16,25H,11-12H2,1H3,(H,22,23,24)
InChIKeyHSEJOVTYVRQRBO-UHFFFAOYSA-N
XLogP4.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol with MolForge

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Related Compounds

4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-4-methylpentanoic acid
CID 122059166
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 56553646
2-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol
CID 133385042
2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide
CID 133367596
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol
CID 133398979
(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-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine
CID 133399873
1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 56574079
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880
N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 133306764

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol?
The IUPAC name of 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol (CID 133495767) is 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol.
What is the SMILES notation for 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol?
The canonical SMILES for 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol is CC(O)(CCNc1nc(C(F)F)nc2ccccc12)c1ccccc1.
What is the InChIKey of 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol?
The InChIKey is HSEJOVTYVRQRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-19(25,13-7-3-2-4-8-13)11-12-22-17-14-9-5-6-10-15(14)23-18(24-17)16(20)21/h2-10,16,25H,11-12H2,1H3,(H,22,23,24).
What are the key properties of 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol?
4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol has a molecular weight of 343.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol is sourced from PubChem (CID 133495767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).