N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H29N3O2 — CID 47027634

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1CN(C(C)CNC(=O)N2CCc3ccccc3C2)CC(C)O1
InChIInChI=1S/C19H29N3O2/c1-14(22-11-15(2)24-16(3)12-22)10-20-19(23)21-9-8-17-6-4-5-7-18(17)13-21/h4-7,14-16H,8-13H2,1-3H3,(H,20,23)
InChIKeyXHXYKINNHDCTMR-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.25
Rot. Bonds3

About N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 47027634) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID47027634
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1CN(C(C)CNC(=O)N2CCc3ccccc3C2)CC(C)O1
InChIInChI=1S/C19H29N3O2/c1-14(22-11-15(2)24-16(3)12-22)10-20-19(23)21-9-8-17-6-4-5-7-18(17)13-21/h4-7,14-16H,8-13H2,1-3H3,(H,20,23)
InChIKeyXHXYKINNHDCTMR-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 98718269
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51114092
N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 98718256
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438280
N-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86937485
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 46413957
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;sulfane
CID 162003399

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 47027634) is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC1CN(C(C)CNC(=O)N2CCc3ccccc3C2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is XHXYKINNHDCTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(22-11-15(2)24-16(3)12-22)10-20-19(23)21-9-8-17-6-4-5-7-18(17)13-21/h4-7,14-16H,8-13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 47027634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).