2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide

C27H33N3O2 — CID 143569953

IUPAC2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2cnc(CCCC3CCC(O)CC3)nc2c1)c1ccccc1
InChIInChI=1S/C27H33N3O2/c1-2-24(20-8-4-3-5-9-20)30-27(32)21-13-14-22-18-28-26(29-25(22)17-21)10-6-7-19-11-15-23(31)16-12-19/h3-5,8-9,13-14,17-19,23-24,31H,2,6-7,10-12,15-16H2,1H3,(H,30,32)/t19?,23?,24-/m1/s1
InChIKeyVXMSXZFNSBDFKU-PBSMCPNCSA-N
MW431.58 g/mol
LogP5.38
Rot. Bonds8

About 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide

2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide (PubChem CID 143569953) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide
PubChem CID143569953
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2cnc(CCCC3CCC(O)CC3)nc2c1)c1ccccc1
InChIInChI=1S/C27H33N3O2/c1-2-24(20-8-4-3-5-9-20)30-27(32)21-13-14-22-18-28-26(29-25(22)17-21)10-6-7-19-11-15-23(31)16-12-19/h3-5,8-9,13-14,17-19,23-24,31H,2,6-7,10-12,15-16H2,1H3,(H,30,32)/t19?,23?,24-/m1/s1
InChIKeyVXMSXZFNSBDFKU-PBSMCPNCSA-N
XLogP5.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
CID 58082242
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide
CID 71577664
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(1R)-1-phenylpropyl]-1,6-naphthyridine-2-carboxamide
CID 16731063
1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide
CID 71075681
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide?
The IUPAC name of 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide (CID 143569953) is 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide.
What is the SMILES notation for 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide?
The canonical SMILES for 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide is CC[C@@H](NC(=O)c1ccc2cnc(CCCC3CCC(O)CC3)nc2c1)c1ccccc1.
What is the InChIKey of 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide?
The InChIKey is VXMSXZFNSBDFKU-PBSMCPNCSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-2-24(20-8-4-3-5-9-20)30-27(32)21-13-14-22-18-28-26(29-25(22)17-21)10-6-7-19-11-15-23(31)16-12-19/h3-5,8-9,13-14,17-19,23-24,31H,2,6-7,10-12,15-16H2,1H3,(H,30,32)/t19?,23?,24-/m1/s1.
What are the key properties of 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide?
2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxycyclohexyl)propyl]-N-[(1R)-1-phenylpropyl]quinazoline-7-carboxamide is sourced from PubChem (CID 143569953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).