(1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

C48H45N3O4 — CID 90775059

IUPAC(1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12.Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1C
InChIInChI=1S/C27H28N2O3.C21H17NO/c1-19-26(27(30)22-11-12-25(31-2)21-8-4-3-7-20(21)22)23-9-5-6-10-24(23)29(19)14-13-28-15-17-32-18-16-28;1-14-20(18-11-5-6-13-19(18)22(14)2)21(23)17-12-7-9-15-8-3-4-10-16(15)17/h3-12H,13-18H2,1-2H3;3-13H,1-2H3
InChIKeyBXXPVWNWJZKEOL-UHFFFAOYSA-N
MW727.91 g/mol
LogP9.55
Rot. Bonds8

About (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

(1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (PubChem CID 90775059) has the molecular formula C48H45N3O4 and a molecular weight of 727.91 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
PubChem CID90775059
Molecular FormulaC48H45N3O4
Molecular Weight727.91 g/mol
Exact Mass727.34
IUPAC Name(1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12.Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1C
InChIInChI=1S/C27H28N2O3.C21H17NO/c1-19-26(27(30)22-11-12-25(31-2)21-8-4-3-7-20(21)22)23-9-5-6-10-24(23)29(19)14-13-28-15-17-32-18-16-28;1-14-20(18-11-5-6-13-19(18)22(14)2)21(23)17-12-7-9-15-8-3-4-10-16(15)17/h3-12H,13-18H2,1-2H3;3-13H,1-2H3
InChIKeyBXXPVWNWJZKEOL-UHFFFAOYSA-N
XLogP9.55
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone with MolForge

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Related Compounds

Win 55212-2
CID 5311501
AM-630
CID 4302963
Jwh 081
CID 10547208
Pravadoline
CID 56463
(5-Methyl-3-(morpholinomethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indol-6-yl)(naphthalen-1-yl)methanone
CID 5689
2-Methyl-1-pentyl-3-(4-methoxynaphthoyl)indole
CID 45272116
Jwh-166
CID 11372171
(6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-indol-3-yl)methanone
CID 11233636
(2-methoxynaphthalen-1-yl)(2-methyl-1-pentyl-1H-indol-3-yl)methanone
CID 11406508
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
CID 10319620
Methanone, (2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo(1,2,3-de)-1,4-benzoxazin-6-yl)-1-naphthalenyl-, (S)-
CID 10432609
(7-methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone
CID 45271217

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The IUPAC name of (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (CID 90775059) is (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The canonical SMILES for (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12.Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The InChIKey is BXXPVWNWJZKEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3.C21H17NO/c1-19-26(27(30)22-11-12-25(31-2)21-8-4-3-7-20(21)22)23-9-5-6-10-24(23)29(19)14-13-28-15-17-32-18-16-28;1-14-20(18-11-5-6-13-19(18)22(14)2)21(23)17-12-7-9-15-8-3-4-10-16(15)17/h3-12H,13-18H2,1-2H3;3-13H,1-2H3.
What are the key properties of (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
(1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone has a molecular weight of 727.91 g/mol, XLogP of 9.55, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-naphthalen-1-ylmethanone;(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 90775059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).