2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide

C23H26N4O3 — CID 58082242

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C23H26N4O3/c28-14-21(15-4-2-1-3-5-15)26-22(30)16-6-7-17-13-24-23(27-20(17)12-16)25-18-8-10-19(29)11-9-18/h1-7,12-13,18-19,21,28-29H,8-11,14H2,(H,26,30)(H,24,25,27)/t18?,19?,21-/m0/s1
InChIKeyJMGOMFPFAFIMKH-GRERDSQWSA-N
MW406.49 g/mol
LogP2.81
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide (PubChem CID 58082242) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
PubChem CID58082242
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C23H26N4O3/c28-14-21(15-4-2-1-3-5-15)26-22(30)16-6-7-17-13-24-23(27-20(17)12-16)25-18-8-10-19(29)11-9-18/h1-7,12-13,18-19,21,28-29H,8-11,14H2,(H,26,30)(H,24,25,27)/t18?,19?,21-/m0/s1
InChIKeyJMGOMFPFAFIMKH-GRERDSQWSA-N
XLogP2.81
TPSA107.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082378
2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082418
2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide
CID 143569953
2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide
CID 58082625
N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide
CID 58082314
2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide
CID 58082291
2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
CID 58082640
2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
CID 58082159
2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide
CID 58082427
4-[2-(cyclopropylamino)-5-methylpyrimidin-4-yl]-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 20729544
4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol
CID 58082649
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide (CID 58082242) is 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide is O=C(N[C@@H](CO)c1ccccc1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide?
The InChIKey is JMGOMFPFAFIMKH-GRERDSQWSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-14-21(15-4-2-1-3-5-15)26-22(30)16-6-7-17-13-24-23(27-20(17)12-16)25-18-8-10-19(29)11-9-18/h1-7,12-13,18-19,21,28-29H,8-11,14H2,(H,26,30)(H,24,25,27)/t18?,19?,21-/m0/s1.
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide is sourced from PubChem (CID 58082242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).