N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide

C17H23N3O — CID 120829996

IUPACN-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCNC(C)CNC(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C17H23N3O/c1-11(2)16-9-14(17(21)19-10-12(3)18-4)13-7-5-6-8-15(13)20-16/h5-9,11-12,18H,10H2,1-4H3,(H,19,21)
InChIKeyXVSANLLBENGWCO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide

N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 120829996) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
PubChem CID120829996
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCNC(C)CNC(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C17H23N3O/c1-11(2)16-9-14(17(21)19-10-12(3)18-4)13-7-5-6-8-15(13)20-16/h5-9,11-12,18H,10H2,1-4H3,(H,19,21)
InChIKeyXVSANLLBENGWCO-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
CID 146077349
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 4051739
4-[[(2-propan-2-ylquinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542666
4-methyl-N-[2-(methylamino)propyl]quinoline-3-carboxamide
CID 120830745
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 31797853

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide (CID 120829996) is N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide is CNC(C)CNC(=O)c1cc(C(C)C)nc2ccccc12.
What is the InChIKey of N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is XVSANLLBENGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)16-9-14(17(21)19-10-12(3)18-4)13-7-5-6-8-15(13)20-16/h5-9,11-12,18H,10H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide?
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 120829996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).