N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide

C25H29N5O2 — CID 86886621

IUPACN-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C25H29N5O2/c1-29(2)16-13-23(31)26-19-9-11-20(12-10-19)27-25(32)21-17-18-7-3-4-8-22(18)28-24(21)30-14-5-6-15-30/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeySRROKWZQTRQJCI-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.98
Rot. Bonds7

About N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide

N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 86886621) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID86886621
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C25H29N5O2/c1-29(2)16-13-23(31)26-19-9-11-20(12-10-19)27-25(32)21-17-18-7-3-4-8-22(18)28-24(21)30-14-5-6-15-30/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeySRROKWZQTRQJCI-UHFFFAOYSA-N
XLogP3.98
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 98349961
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
N-[(1S,2S)-2-methylcyclohexyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 52515339
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56516472
2-(4,4-difluoroazepan-1-yl)-N-(3-methylsulfanylphenyl)quinoline-3-carboxamide
CID 169264444
2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide
CID 71292372
2-(4,4-difluoroazepan-1-yl)-N-(3-methylsulfonylphenyl)quinoline-3-carboxamide
CID 169263976
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 111661790
N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
CID 56504820
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
N-[(1-phenyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 99595468

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide (CID 86886621) is N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide is CN(C)CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is SRROKWZQTRQJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-29(2)16-13-23(31)26-19-9-11-20(12-10-19)27-25(32)21-17-18-7-3-4-8-22(18)28-24(21)30-14-5-6-15-30/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 86886621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).