2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide

C24H27F2N5O2 — CID 69475396

IUPAC2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)C(O)c3cc(F)cc(F)c3)CC2)nc2ccccc12
InChIInChI=1S/C24H27F2N5O2/c1-31(2)22-19-5-3-4-6-20(19)29-24(30-22)28-18-9-7-17(8-10-18)27-23(33)21(32)14-11-15(25)13-16(26)12-14/h3-6,11-13,17-18,21,32H,7-10H2,1-2H3,(H,27,33)(H,28,29,30)
InChIKeyXXKYHKIVQQOUAH-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.55
Rot. Bonds6

About 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide

2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide (PubChem CID 69475396) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide
PubChem CID69475396
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)C(O)c3cc(F)cc(F)c3)CC2)nc2ccccc12
InChIInChI=1S/C24H27F2N5O2/c1-31(2)22-19-5-3-4-6-20(19)29-24(30-22)28-18-9-7-17(8-10-18)27-23(33)21(32)14-11-15(25)13-16(26)12-14/h3-6,11-13,17-18,21,32H,7-10H2,1-2H3,(H,27,33)(H,28,29,30)
InChIKeyXXKYHKIVQQOUAH-UHFFFAOYSA-N
XLogP3.55
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide with MolForge

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Related Compounds

N-[4-({[2-(dimethylamino)-7-(hydroxymethyl)quinazolin-4-yl]amino}methyl)phenyl]-4-fluorobenzamide
CID 25026111
2-amino-8-fluoro-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122444918
1-[3-({4-[(2-Hydroxyethyl)amino]-2-quinazolinyl}amino)phenyl]ethanol
CID 50945521
N-[4-[[6-(3-fluorophenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]quinazolin-4-yl]amino]cyclohexyl]-3-hydroxycyclobutane-1-carboxamide
CID 145977117
1-Phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
CID 16289156
N-[4-({[2-(dimethylamino)-7-(1-hydroxyethyl)quinazolin-4-yl]amino}methyl)phenyl]-4-fluorobenzamide
CID 25026110
1-[(3,4-difluorophenyl)methyl]-N-[3-[4-[(2-hydroxy-2-phenylethyl)amino]quinazolin-6-yl]prop-2-ynyl]-6-oxopyrimidine-5-carboxamide
CID 67476302
US12053473, Example I-49
CID 155523870
US12053473, Example I-256
CID 155534816
US12053473, Example I-78
CID 155547489
US12053473, Example I-254
CID 155551484
1-[3-[[4-(Diethylamino)quinazolin-2-yl]amino]phenyl]ethanol
CID 56729007

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide (CID 69475396) is 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide is CN(C)c1nc(NC2CCC(NC(=O)C(O)c3cc(F)cc(F)c3)CC2)nc2ccccc12.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide?
The InChIKey is XXKYHKIVQQOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c1-31(2)22-19-5-3-4-6-20(19)29-24(30-22)28-18-9-7-17(8-10-18)27-23(33)21(32)14-11-15(25)13-16(26)12-14/h3-6,11-13,17-18,21,32H,7-10H2,1-2H3,(H,27,33)(H,28,29,30).
What are the key properties of 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide?
2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide has a molecular weight of 455.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-hydroxyacetamide is sourced from PubChem (CID 69475396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).