N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

C25H32N4O — CID 4302865

IUPACN-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)CN(CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12)CC(C)C
InChIInChI=1S/C25H32N4O/c1-18(2)16-29(17-19(3)4)14-13-27-25(30)22-15-24(20-9-11-26-12-10-20)28-23-8-6-5-7-21(22)23/h5-12,15,18-19H,13-14,16-17H2,1-4H3,(H,27,30)
InChIKeyKAZPASFHYNBVRL-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.64
Rot. Bonds9

About N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 4302865) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID4302865
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)CN(CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12)CC(C)C
InChIInChI=1S/C25H32N4O/c1-18(2)16-29(17-19(3)4)14-13-27-25(30)22-15-24(20-9-11-26-12-10-20)28-23-8-6-5-7-21(22)23/h5-12,15,18-19H,13-14,16-17H2,1-4H3,(H,27,30)
InChIKeyKAZPASFHYNBVRL-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 41492842

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 4302865) is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is CC(C)CN(CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12)CC(C)C.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is KAZPASFHYNBVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-18(2)16-29(17-19(3)4)14-13-27-25(30)22-15-24(20-9-11-26-12-10-20)28-23-8-6-5-7-21(22)23/h5-12,15,18-19H,13-14,16-17H2,1-4H3,(H,27,30).
What are the key properties of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 4302865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).