N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C20H22N6O — CID 131908303

IUPACN-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c2ncccc12)C1NCCc2[nH]cnc21
InChIInChI=1S/C20H22N6O/c27-20(19-18-15(7-9-22-19)23-12-24-18)25-14-5-6-16(26-10-1-2-11-26)17-13(14)4-3-8-21-17/h3-6,8,12,19,22H,1-2,7,9-11H2,(H,23,24)(H,25,27)
InChIKeyJTHSTXHFXGEWHH-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.38
Rot. Bonds3

About N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 131908303) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID131908303
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c2ncccc12)C1NCCc2[nH]cnc21
InChIInChI=1S/C20H22N6O/c27-20(19-18-15(7-9-22-19)23-12-24-18)25-14-5-6-16(26-10-1-2-11-26)17-13(14)4-3-8-21-17/h3-6,8,12,19,22H,1-2,7,9-11H2,(H,23,24)(H,25,27)
InChIKeyJTHSTXHFXGEWHH-UHFFFAOYSA-N
XLogP2.38
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 131908303) is N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C(Nc1ccc(N2CCCC2)c2ncccc12)C1NCCc2[nH]cnc21.
What is the InChIKey of N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is JTHSTXHFXGEWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(19-18-15(7-9-22-19)23-12-24-18)25-14-5-6-16(26-10-1-2-11-26)17-13(14)4-3-8-21-17/h3-6,8,12,19,22H,1-2,7,9-11H2,(H,23,24)(H,25,27).
What are the key properties of N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 131908303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).