[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone

C22H30N4O3 — CID 45185896

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
SMILESCOc1ccc2c(C)nc(N3CCCC(C(=O)N4C[C@@H](C)O[C@@H](C)C4)C3)nc2c1
InChIInChI=1S/C22H30N4O3/c1-14-11-26(12-15(2)29-14)21(27)17-6-5-9-25(13-17)22-23-16(3)19-8-7-18(28-4)10-20(19)24-22/h7-8,10,14-15,17H,5-6,9,11-13H2,1-4H3/t14-,15+,17?
InChIKeyYJYSLCQFSBNYFM-FKEKPDDDSA-N
MW398.51 g/mol
LogP2.80
Rot. Bonds3

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone (PubChem CID 45185896) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
PubChem CID45185896
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
SMILESCOc1ccc2c(C)nc(N3CCCC(C(=O)N4C[C@@H](C)O[C@@H](C)C4)C3)nc2c1
InChIInChI=1S/C22H30N4O3/c1-14-11-26(12-15(2)29-14)21(27)17-6-5-9-25(13-17)22-23-16(3)19-8-7-18(28-4)10-20(19)24-22/h7-8,10,14-15,17H,5-6,9,11-13H2,1-4H3/t14-,15+,17?
InChIKeyYJYSLCQFSBNYFM-FKEKPDDDSA-N
XLogP2.80
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
CID 42164315
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
(3R)-N-(2-methoxyethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 26278572
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679
(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 42190788
[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42438154
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 42369759
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
CID 95202338

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone (CID 45185896) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone is COc1ccc2c(C)nc(N3CCCC(C(=O)N4C[C@@H](C)O[C@@H](C)C4)C3)nc2c1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone?
The InChIKey is YJYSLCQFSBNYFM-FKEKPDDDSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-14-11-26(12-15(2)29-14)21(27)17-6-5-9-25(13-17)22-23-16(3)19-8-7-18(28-4)10-20(19)24-22/h7-8,10,14-15,17H,5-6,9,11-13H2,1-4H3/t14-,15+,17?.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 45185896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).