cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone

C25H32N4O4 — CID 142581331

IUPACcyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3C[C@@H](C)O[C@@H](C)C3)c2c1
InChIInChI=1S/C25H32N4O4/c1-16-14-29(15-17(2)33-16)23-20-12-19(32-3)6-7-22(20)26-13-21(23)25(31)28-10-8-27(9-11-28)24(30)18-4-5-18/h6-7,12-13,16-18H,4-5,8-11,14-15H2,1-3H3/t16-,17+
InChIKeyXOJNSYBCMNJAGG-CALCHBBNSA-N
MW452.56 g/mol
LogP2.55
Rot. Bonds4

About cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581331) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581331
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Namecyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3C[C@@H](C)O[C@@H](C)C3)c2c1
InChIInChI=1S/C25H32N4O4/c1-16-14-29(15-17(2)33-16)23-20-12-19(32-3)6-7-22(20)26-13-21(23)25(31)28-10-8-27(9-11-28)24(30)18-4-5-18/h6-7,12-13,16-18H,4-5,8-11,14-15H2,1-3H3/t16-,17+
InChIKeyXOJNSYBCMNJAGG-CALCHBBNSA-N
XLogP2.55
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581534
cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581314
[4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 174046509
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 142581437
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
[4-[4-(3-azaspiro[5.5]undecan-3-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581654
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152
cyclopropyl-[4-[6-fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581260
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581360
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581331) is cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone is COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3C[C@@H](C)O[C@@H](C)C3)c2c1.
What is the InChIKey of cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is XOJNSYBCMNJAGG-CALCHBBNSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-16-14-29(15-17(2)33-16)23-20-12-19(32-3)6-7-22(20)26-13-21(23)25(31)28-10-8-27(9-11-28)24(30)18-4-5-18/h6-7,12-13,16-18H,4-5,8-11,14-15H2,1-3H3/t16-,17+.
What are the key properties of cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 452.56 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).