N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide

C29H27N5O — CID 44515356

IUPACN-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc(-c3cccc4ccccc34)c3nccnc23)nc1
InChIInChI=1S/C29H27N5O/c1-3-34(4-2)19-20-12-15-26(32-18-20)33-29(35)25-14-13-24(27-28(25)31-17-16-30-27)23-11-7-9-21-8-5-6-10-22(21)23/h5-18H,3-4,19H2,1-2H3,(H,32,33,35)
InChIKeyIQBALXPGNZKGRX-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.94
Rot. Bonds7

About N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide

N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide (PubChem CID 44515356) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
PubChem CID44515356
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC NameN-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc(-c3cccc4ccccc34)c3nccnc23)nc1
InChIInChI=1S/C29H27N5O/c1-3-34(4-2)19-20-12-15-26(32-18-20)33-29(35)25-14-13-24(27-28(25)31-17-16-30-27)23-11-7-9-21-8-5-6-10-22(21)23/h5-18H,3-4,19H2,1-2H3,(H,32,33,35)
InChIKeyIQBALXPGNZKGRX-UHFFFAOYSA-N
XLogP5.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide
CID 59292872
N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
CID 44515355
N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide
CID 104613994
N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide
CID 52636966
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
8-isoquinolin-4-yl-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 44515976
8-(2-chloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 141249481
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
N-(5-chloropyrazin-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 107595670
N-[3-(diethylaminomethyl)phenyl]-2-phenylbenzamide
CID 38755706
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167781776

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide?
The IUPAC name of N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide (CID 44515356) is N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide.
What is the SMILES notation for N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide?
The canonical SMILES for N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide is CCN(CC)Cc1ccc(NC(=O)c2ccc(-c3cccc4ccccc34)c3nccnc23)nc1.
What is the InChIKey of N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide?
The InChIKey is IQBALXPGNZKGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-3-34(4-2)19-20-12-15-26(32-18-20)33-29(35)25-14-13-24(27-28(25)31-17-16-30-27)23-11-7-9-21-8-5-6-10-22(21)23/h5-18H,3-4,19H2,1-2H3,(H,32,33,35).
What are the key properties of N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide?
N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide is sourced from PubChem (CID 44515356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).