1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C32H33N3O2 — CID 45162950

IUPAC1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccc2c(c1)CC(N1CCc3c(cc(-c4cccc5cnccc45)c(=O)n3CC3CC3)C1)CC2
InChIInChI=1S/C32H33N3O2/c1-37-27-10-8-22-7-9-26(15-24(22)16-27)34-14-12-31-25(20-34)17-30(32(36)35(31)19-21-5-6-21)29-4-2-3-23-18-33-13-11-28(23)29/h2-4,8,10-11,13,16-18,21,26H,5-7,9,12,14-15,19-20H2,1H3
InChIKeyALDVSRUPFFGCRW-UHFFFAOYSA-N
MW491.64 g/mol
LogP5.40
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 45162950) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID45162950
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC Name1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccc2c(c1)CC(N1CCc3c(cc(-c4cccc5cnccc45)c(=O)n3CC3CC3)C1)CC2
InChIInChI=1S/C32H33N3O2/c1-37-27-10-8-22-7-9-26(15-24(22)16-27)34-14-12-31-25(20-34)17-30(32(36)35(31)19-21-5-6-21)29-4-2-3-23-18-33-13-11-28(23)29/h2-4,8,10-11,13,16-18,21,26H,5-7,9,12,14-15,19-20H2,1H3
InChIKeyALDVSRUPFFGCRW-UHFFFAOYSA-N
XLogP5.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-[(3S)-thiolan-3-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26140353
3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(1-propylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26225062
isoquinolin-5-yl-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 72870990
1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26219550
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine
CID 115510854
3-[1-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 25382504
3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
CID 107320785
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45165138
(3Z,5E)-1-(cyclopropylmethyl)-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-4-one
CID 51129084
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide
CID 26395249
2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731661

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 45162950) is 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1ccc2c(c1)CC(N1CCc3c(cc(-c4cccc5cnccc45)c(=O)n3CC3CC3)C1)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is ALDVSRUPFFGCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-37-27-10-8-22-7-9-26(15-24(22)16-27)34-14-12-31-25(20-34)17-30(32(36)35(31)19-21-5-6-21)29-4-2-3-23-18-33-13-11-28(23)29/h2-4,8,10-11,13,16-18,21,26H,5-7,9,12,14-15,19-20H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 491.64 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 45162950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).