2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide

C25H37N3O2 — CID 134188978

IUPAC2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide
SMILESCc1cc2c(cc1C(=O)NCCN1CCOCC1)=CN(CC1CCCCCC1)CC=2
InChIInChI=1S/C25H37N3O2/c1-20-16-22-8-10-28(18-21-6-4-2-3-5-7-21)19-23(22)17-24(20)25(29)26-9-11-27-12-14-30-15-13-27/h8,16-17,19,21H,2-7,9-15,18H2,1H3,(H,26,29)
InChIKeyZAVJURYASNGROV-UHFFFAOYSA-N
MW411.59 g/mol
LogP1.86
Rot. Bonds6

About 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide

2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide (PubChem CID 134188978) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide
PubChem CID134188978
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide
SMILESCc1cc2c(cc1C(=O)NCCN1CCOCC1)=CN(CC1CCCCCC1)CC=2
InChIInChI=1S/C25H37N3O2/c1-20-16-22-8-10-28(18-21-6-4-2-3-5-7-21)19-23(22)17-24(20)25(29)26-9-11-27-12-14-30-15-13-27/h8,16-17,19,21H,2-7,9-15,18H2,1H3,(H,26,29)
InChIKeyZAVJURYASNGROV-UHFFFAOYSA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide
CID 123163771
(5E)-4,6-dimethylidene-N-(2-morpholin-4-ylethyl)-5-[(2Z)-3-prop-1-en-2-yl-6-propylnona-2,8-dienylidene]cyclohexene-1-carboxamide
CID 123167358
2-(cycloheptylmethyl)-N-[2-(cyclopropylmethoxy)ethyl]-8-methyl-3H-isoquinoline-7-carboxamide
CID 123201210
3,7-dimethyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123461199
(3Z)-3-[2-[2-[4-[1-(2-methanidylpropan-2-yloxy)ethenyl]cycloheptyl]ethyl]-3-methylbut-3-enylidene]-6-methyl-4-methylidene-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 123896096
(3E)-6-methyl-N-(2-morpholin-4-ylethyl)-3-[(piperidin-4-ylmethylamino)methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188976
(3Z)-3-[[2-ethylpentyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747317
(3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747546
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747564
2-hydroxy-6-methyl-N-[2-(morpholin-4-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054917
(6R)-6-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322828
(6S)-6-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322829

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide?
The IUPAC name of 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide (CID 134188978) is 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide.
What is the SMILES notation for 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide?
The canonical SMILES for 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide is Cc1cc2c(cc1C(=O)NCCN1CCOCC1)=CN(CC1CCCCCC1)CC=2.
What is the InChIKey of 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide?
The InChIKey is ZAVJURYASNGROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-20-16-22-8-10-28(18-21-6-4-2-3-5-7-21)19-23(22)17-24(20)25(29)26-9-11-27-12-14-30-15-13-27/h8,16-17,19,21H,2-7,9-15,18H2,1H3,(H,26,29).
What are the key properties of 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide?
2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)-6-methyl-N-(2-morpholin-4-ylethyl)-3H-isoquinoline-7-carboxamide is sourced from PubChem (CID 134188978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).