N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide

C30H28N4O2 — CID 44533294

IUPACN-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide
SMILESCN(C)CCOc1ccnc2ccc(NC(=O)Cc3ccc(-c4ccncc4)c4ccccc34)cc12
InChIInChI=1S/C30H28N4O2/c1-34(2)17-18-36-29-13-16-32-28-10-8-23(20-27(28)29)33-30(35)19-22-7-9-25(21-11-14-31-15-12-21)26-6-4-3-5-24(22)26/h3-16,20H,17-19H2,1-2H3,(H,33,35)
InChIKeyWVEIXHPPJTWLAI-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.57
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide

N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide (PubChem CID 44533294) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide
PubChem CID44533294
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide
SMILESCN(C)CCOc1ccnc2ccc(NC(=O)Cc3ccc(-c4ccncc4)c4ccccc34)cc12
InChIInChI=1S/C30H28N4O2/c1-34(2)17-18-36-29-13-16-32-28-10-8-23(20-27(28)29)33-30(35)19-22-7-9-25(21-11-14-31-15-12-21)26-6-4-3-5-24(22)26/h3-16,20H,17-19H2,1-2H3,(H,33,35)
InChIKeyWVEIXHPPJTWLAI-UHFFFAOYSA-N
XLogP5.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide (CID 44533294) is N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide is CN(C)CCOc1ccnc2ccc(NC(=O)Cc3ccc(-c4ccncc4)c4ccccc34)cc12.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide?
The InChIKey is WVEIXHPPJTWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-34(2)17-18-36-29-13-16-32-28-10-8-23(20-27(28)29)33-30(35)19-22-7-9-25(21-11-14-31-15-12-21)26-6-4-3-5-24(22)26/h3-16,20H,17-19H2,1-2H3,(H,33,35).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide?
N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide has a molecular weight of 476.58 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide is sourced from PubChem (CID 44533294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).