N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C23H28N4O3 — CID 48642627

IUPACN-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H28N4O3/c28-22(24-10-12-26-13-15-30-16-14-26)19-5-7-21(8-6-19)25-23(29)27-11-9-18-3-1-2-4-20(18)17-27/h1-8H,9-17H2,(H,24,28)(H,25,29)
InChIKeyRSUJKCLSYHQNHM-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.34
Rot. Bonds5

About N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 48642627) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID48642627
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H28N4O3/c28-22(24-10-12-26-13-15-30-16-14-26)19-5-7-21(8-6-19)25-23(29)27-11-9-18-3-1-2-4-20(18)17-27/h1-8H,9-17H2,(H,24,28)(H,25,29)
InChIKeyRSUJKCLSYHQNHM-UHFFFAOYSA-N
XLogP2.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573235
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973602
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 1064004
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 48642627) is N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is RSUJKCLSYHQNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-22(24-10-12-26-13-15-30-16-14-26)19-5-7-21(8-6-19)25-23(29)27-11-9-18-3-1-2-4-20(18)17-27/h1-8H,9-17H2,(H,24,28)(H,25,29).
What are the key properties of N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 48642627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).