2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide

C23H33N5O2 — CID 143569798

IUPAC2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide
SMILESCC(C)(CN1CCOCC1)NC(=O)c1ccc2cnc(NC3CCCCC3)nc2c1
InChIInChI=1S/C23H33N5O2/c1-23(2,16-28-10-12-30-13-11-28)27-21(29)17-8-9-18-15-24-22(26-20(18)14-17)25-19-6-4-3-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3,(H,27,29)(H,24,25,26)
InChIKeyQELJKZRWFJAZHV-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.21
Rot. Bonds6

About 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide

2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide (PubChem CID 143569798) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide
PubChem CID143569798
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide
SMILESCC(C)(CN1CCOCC1)NC(=O)c1ccc2cnc(NC3CCCCC3)nc2c1
InChIInChI=1S/C23H33N5O2/c1-23(2,16-28-10-12-30-13-11-28)27-21(29)17-8-9-18-15-24-22(26-20(18)14-17)25-19-6-4-3-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3,(H,27,29)(H,24,25,26)
InChIKeyQELJKZRWFJAZHV-UHFFFAOYSA-N
XLogP3.21
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082418
4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide
CID 136547909
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-7-carboxylic acid
CID 58082225
N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide
CID 58082314
2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide
CID 58082625
2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
CID 58082640
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine
CID 89403812
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 53108652
2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid
CID 71246766
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082378
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide (CID 143569798) is 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide is CC(C)(CN1CCOCC1)NC(=O)c1ccc2cnc(NC3CCCCC3)nc2c1.
What is the InChIKey of 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide?
The InChIKey is QELJKZRWFJAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-23(2,16-28-10-12-30-13-11-28)27-21(29)17-8-9-18-15-24-22(26-20(18)14-17)25-19-6-4-3-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3,(H,27,29)(H,24,25,26).
What are the key properties of 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide?
2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide is sourced from PubChem (CID 143569798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).