N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C24H32N4O4 — CID 59995972

IUPACN-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(c(OC)c1)C(N1CCOCC1)N(C(=O)Nc1ccc(N(C)C)cc1)CC2
InChIInChI=1S/C24H32N4O4/c1-26(2)19-7-5-18(6-8-19)25-24(29)28-10-9-17-15-20(30-3)16-21(31-4)22(17)23(28)27-11-13-32-14-12-27/h5-8,15-16,23H,9-14H2,1-4H3,(H,25,29)
InChIKeyGIXDDAVTFLRNKW-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 59995972) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID59995972
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(c(OC)c1)C(N1CCOCC1)N(C(=O)Nc1ccc(N(C)C)cc1)CC2
InChIInChI=1S/C24H32N4O4/c1-26(2)19-7-5-18(6-8-19)25-24(29)28-10-9-17-15-20(30-3)16-21(31-4)22(17)23(28)27-11-13-32-14-12-27/h5-8,15-16,23H,9-14H2,1-4H3,(H,25,29)
InChIKeyGIXDDAVTFLRNKW-UHFFFAOYSA-N
XLogP3.19
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-8-methoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154543282
6,8-dimethoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-methylfuran;propane
CID 142977639
methyl 3-[[1-(3,5-dichlorophenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 59995925
methyl 3-[[6,8-dimethoxy-1-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 59995970
N-(3-isocyanophenyl)-6,8-dimethoxy-1-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59995912
N-(4-chloro-3-methoxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 136537892
N-(4-chlorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 5070807
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
1-(3,5-dichlorophenyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59996001
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 59995972) is N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(c(OC)c1)C(N1CCOCC1)N(C(=O)Nc1ccc(N(C)C)cc1)CC2.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is GIXDDAVTFLRNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-26(2)19-7-5-18(6-8-19)25-24(29)28-10-9-17-15-20(30-3)16-21(31-4)22(17)23(28)27-11-13-32-14-12-27/h5-8,15-16,23H,9-14H2,1-4H3,(H,25,29).
What are the key properties of N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6,8-dimethoxy-1-morpholin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 59995972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).