N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C25H32N4O — CID 42749811

IUPACN-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12
InChIInChI=1S/C25H32N4O/c1-5-29(6-2)15-7-8-19(4)27-25(30)22-17-24(20-11-13-26-14-12-20)28-23-10-9-18(3)16-21(22)23/h9-14,16-17,19H,5-8,15H2,1-4H3,(H,27,30)
InChIKeyLHYZFFASRVPWNH-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.85
Rot. Bonds9

About N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 42749811) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID42749811
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12
InChIInChI=1S/C25H32N4O/c1-5-29(6-2)15-7-8-19(4)27-25(30)22-17-24(20-11-13-26-14-12-20)28-23-10-9-18(3)16-21(22)23/h9-14,16-17,19H,5-8,15H2,1-4H3,(H,27,30)
InChIKeyLHYZFFASRVPWNH-UHFFFAOYSA-N
XLogP4.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 42750300
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 7296623
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3959644
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 22210394

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 42749811) is N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is LHYZFFASRVPWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-5-29(6-2)15-7-8-19(4)27-25(30)22-17-24(20-11-13-26-14-12-20)28-23-10-9-18(3)16-21(22)23/h9-14,16-17,19H,5-8,15H2,1-4H3,(H,27,30).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 42749811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).