6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C21H31N3O3 — CID 119073274

IUPAC6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CCN(C(=O)NCC1(N3CCOCC3)CCCC1)C2
InChIInChI=1S/C21H31N3O3/c1-26-19-5-4-18-15-23(9-6-17(18)14-19)20(25)22-16-21(7-2-3-8-21)24-10-12-27-13-11-24/h4-5,14H,2-3,6-13,15-16H2,1H3,(H,22,25)
InChIKeyWQXLUEFISZQNKM-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.41
Rot. Bonds4

About 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 119073274) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID119073274
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CCN(C(=O)NCC1(N3CCOCC3)CCCC1)C2
InChIInChI=1S/C21H31N3O3/c1-26-19-5-4-18-15-23(9-6-17(18)14-19)20(25)22-16-21(7-2-3-8-21)24-10-12-27-13-11-24/h4-5,14H,2-3,6-13,15-16H2,1H3,(H,22,25)
InChIKeyWQXLUEFISZQNKM-UHFFFAOYSA-N
XLogP2.41
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 18150680
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
2-[(1-hydroxycyclohexyl)methylamino]-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 163693915
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone
CID 91789631
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2449881
4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 112505089
7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235750
(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one
CID 97208900

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 119073274) is 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc2c(c1)CCN(C(=O)NCC1(N3CCOCC3)CCCC1)C2.
What is the InChIKey of 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is WQXLUEFISZQNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-26-19-5-4-18-15-23(9-6-17(18)14-19)20(25)22-16-21(7-2-3-8-21)24-10-12-27-13-11-24/h4-5,14H,2-3,6-13,15-16H2,1H3,(H,22,25).
What are the key properties of 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 119073274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).