6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C28H37N3O4 — CID 40961325

IUPAC6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCc3ccccc31)CC2
InChIInChI=1S/C28H37N3O4/c1-18(2)14-24(27(32)29-23-11-7-9-19-8-5-6-10-22(19)23)30-28(33)31-13-12-20-15-25(34-3)26(35-4)16-21(20)17-31/h5-6,8,10,15-16,18,23-24H,7,9,11-14,17H2,1-4H3,(H,29,32)(H,30,33)/t23-,24+/m1/s1
InChIKeyFYVNYXUOJKZNPV-RPWUZVMVSA-N
MW479.62 g/mol
LogP4.38
Rot. Bonds7

About 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 40961325) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID40961325
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCc3ccccc31)CC2
InChIInChI=1S/C28H37N3O4/c1-18(2)14-24(27(32)29-23-11-7-9-19-8-5-6-10-22(19)23)30-28(33)31-13-12-20-15-25(34-3)26(35-4)16-21(20)17-31/h5-6,8,10,15-16,18,23-24H,7,9,11-14,17H2,1-4H3,(H,29,32)(H,30,33)/t23-,24+/m1/s1
InChIKeyFYVNYXUOJKZNPV-RPWUZVMVSA-N
XLogP4.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

6,7-dimethoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 124651562
6,7-dimethoxy-N-[(2S,3R)-3-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 40946829
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 73256951
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99949580
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]-5,6-dimethoxy-2,3-dihydro-1H-indole-2-carboxamide
CID 127024513
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,5-dimethoxybenzoate
CID 7727228
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28538778

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 40961325) is 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCc3ccccc31)CC2.
What is the InChIKey of 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is FYVNYXUOJKZNPV-RPWUZVMVSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-18(2)14-24(27(32)29-23-11-7-9-19-8-5-6-10-22(19)23)30-28(33)31-13-12-20-15-25(34-3)26(35-4)16-21(20)17-31/h5-6,8,10,15-16,18,23-24H,7,9,11-14,17H2,1-4H3,(H,29,32)(H,30,33)/t23-,24+/m1/s1.
What are the key properties of 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 40961325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).