[1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone

C30H30N2O4 — CID 134841474

IUPAC[1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3ccc(C(=O)c4ccc(OC)cc4)c(N(C)C)c3c2N(C)C)cc1
InChIInChI=1S/C30H30N2O4/c1-31(2)27-24(29(33)20-7-13-22(35-5)14-8-20)17-11-19-12-18-25(28(26(19)27)32(3)4)30(34)21-9-15-23(36-6)16-10-21/h7-18H,1-6H3
InChIKeyCOWQPDRURALJNW-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.45
Rot. Bonds8

About [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone

[1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 134841474) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone
PubChem CID134841474
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name[1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3ccc(C(=O)c4ccc(OC)cc4)c(N(C)C)c3c2N(C)C)cc1
InChIInChI=1S/C30H30N2O4/c1-31(2)27-24(29(33)20-7-13-22(35-5)14-8-20)17-11-19-12-18-25(28(26(19)27)32(3)4)30(34)21-9-15-23(36-6)16-10-21/h7-18H,1-6H3
InChIKeyCOWQPDRURALJNW-UHFFFAOYSA-N
XLogP5.45
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone (CID 134841474) is [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3ccc(C(=O)c4ccc(OC)cc4)c(N(C)C)c3c2N(C)C)cc1.
What is the InChIKey of [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is COWQPDRURALJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-31(2)27-24(29(33)20-7-13-22(35-5)14-8-20)17-11-19-12-18-25(28(26(19)27)32(3)4)30(34)21-9-15-23(36-6)16-10-21/h7-18H,1-6H3.
What are the key properties of [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone?
[1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 482.58 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,8-bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 134841474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).