(6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide

C25H32N6O3 — CID 146329170

IUPAC(6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncncc23)CC(C(=O)NC2CCC(N3CCOCC3)CC2)O1
InChIInChI=1S/C25H32N6O3/c1-17-14-31(22-7-2-18(12-26)24-21(22)13-27-16-28-24)15-23(34-17)25(32)29-19-3-5-20(6-4-19)30-8-10-33-11-9-30/h2,7,13,16-17,19-20,23H,3-6,8-11,14-15H2,1H3,(H,29,32)/t17-,19?,20?,23?/m1/s1
InChIKeyRKTQCWXDFQZHTG-WEYFRBKDSA-N
MW464.57 g/mol
LogP1.85
Rot. Bonds4

About (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide

(6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide (PubChem CID 146329170) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide
PubChem CID146329170
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name(6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncncc23)CC(C(=O)NC2CCC(N3CCOCC3)CC2)O1
InChIInChI=1S/C25H32N6O3/c1-17-14-31(22-7-2-18(12-26)24-21(22)13-27-16-28-24)15-23(34-17)25(32)29-19-3-5-20(6-4-19)30-8-10-33-11-9-30/h2,7,13,16-17,19-20,23H,3-6,8-11,14-15H2,1H3,(H,29,32)/t17-,19?,20?,23?/m1/s1
InChIKeyRKTQCWXDFQZHTG-WEYFRBKDSA-N
XLogP1.85
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide
CID 146329183
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile
CID 129240771
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265
N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140671730
(6R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 137395366
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-N-(2-azaspiro[3.3]heptan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 118006748
5-[(2R,6R)-2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007214
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
CID 140671765
5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007391
5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006873

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide?
The IUPAC name of (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide (CID 146329170) is (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide.
What is the SMILES notation for (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide?
The canonical SMILES for (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3ncncc23)CC(C(=O)NC2CCC(N3CCOCC3)CC2)O1.
What is the InChIKey of (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide?
The InChIKey is RKTQCWXDFQZHTG-WEYFRBKDSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-17-14-31(22-7-2-18(12-26)24-21(22)13-27-16-28-24)15-23(34-17)25(32)29-19-3-5-20(6-4-19)30-8-10-33-11-9-30/h2,7,13,16-17,19-20,23H,3-6,8-11,14-15H2,1H3,(H,29,32)/t17-,19?,20?,23?/m1/s1.
What are the key properties of (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide?
(6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide is sourced from PubChem (CID 146329170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).