N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide

C23H26N4O2 — CID 140575312

IUPACN-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)C(O)NC1CCCCC1)c1ccc2cncnc2c1
InChIInChI=1S/C23H26N4O2/c28-22(17-11-12-18-14-24-15-25-20(18)13-17)27-21(16-7-3-1-4-8-16)23(29)26-19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19,21,23,26,29H,2,5-6,9-10H2,(H,27,28)/t21-,23?/m0/s1
InChIKeyBMPOMEJTLJNBCI-BBQAJUCSSA-N
MW390.49 g/mol
LogP3.34
Rot. Bonds6

About N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide

N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide (PubChem CID 140575312) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
PubChem CID140575312
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)C(O)NC1CCCCC1)c1ccc2cncnc2c1
InChIInChI=1S/C23H26N4O2/c28-22(17-11-12-18-14-24-15-25-20(18)13-17)27-21(16-7-3-1-4-8-16)23(29)26-19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19,21,23,26,29H,2,5-6,9-10H2,(H,27,28)/t21-,23?/m0/s1
InChIKeyBMPOMEJTLJNBCI-BBQAJUCSSA-N
XLogP3.34
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide with MolForge

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Related Compounds

N-(1-hydroxypentan-2-yl)quinazoline-7-carboxamide
CID 140575321
N-(2-methylpropyl)quinazoline-7-carboxamide
CID 122423883
N-[6-[(cyclohexylamino)-phenylmethyl]-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492093
1-amino-N-(4-amino-3-cyclohexyl-4-oxo-1-phenylbutyl)isoquinoline-7-carboxamide
CID 57108186
N-benzylquinazoline-6-carboxamide
CID 141061658
2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
CID 58082242
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190
(1R,2R)-2-(cyclohexylamino)-1-phenyl-2-pyridin-3-ylethanol
CID 15247406
N-(2-methoxy-3-pyridinyl)quinazoline-7-carboxamide
CID 140575315
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
N-[cyclopropyl(phenyl)methyl]-1H-indazole-6-carboxamide
CID 167970891

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide (CID 140575312) is N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide is O=C(N[C@@H](c1ccccc1)C(O)NC1CCCCC1)c1ccc2cncnc2c1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide?
The InChIKey is BMPOMEJTLJNBCI-BBQAJUCSSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(17-11-12-18-14-24-15-25-20(18)13-17)27-21(16-7-3-1-4-8-16)23(29)26-19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19,21,23,26,29H,2,5-6,9-10H2,(H,27,28)/t21-,23?/m0/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide?
N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide is sourced from PubChem (CID 140575312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).