N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C23H30N4O3 — CID 154543282

IUPACN-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc2c1C(N1CCOCC1)N(C(=O)Nc1ccc(N(C)C)cc1)CC2
InChIInChI=1S/C23H30N4O3/c1-25(2)19-9-7-18(8-10-19)24-23(28)27-12-11-17-5-4-6-20(29-3)21(17)22(27)26-13-15-30-16-14-26/h4-10,22H,11-16H2,1-3H3,(H,24,28)
InChIKeyYWEYSEMWENBQGR-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.18
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 154543282) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID154543282
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc2c1C(N1CCOCC1)N(C(=O)Nc1ccc(N(C)C)cc1)CC2
InChIInChI=1S/C23H30N4O3/c1-25(2)19-9-7-18(8-10-19)24-23(28)27-12-11-17-5-4-6-20(29-3)21(17)22(27)26-13-15-30-16-14-26/h4-10,22H,11-16H2,1-3H3,(H,24,28)
InChIKeyYWEYSEMWENBQGR-UHFFFAOYSA-N
XLogP3.18
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59995972
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42706419
(1S)-N-(2-bromo-6-methoxyphenyl)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121273097
4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169145
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
(1R)-6,7-dimethoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92541937
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 26791544
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506
6,7-dimethoxy-N-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110289330
N-(4-chloro-3-methoxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 136537892
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
CID 108955540
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 154543282) is N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cccc2c1C(N1CCOCC1)N(C(=O)Nc1ccc(N(C)C)cc1)CC2.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is YWEYSEMWENBQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-25(2)19-9-7-18(8-10-19)24-23(28)27-12-11-17-5-4-6-20(29-3)21(17)22(27)26-13-15-30-16-14-26/h4-10,22H,11-16H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 154543282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).