N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide

C23H21N5O2 — CID 67470038

IUPACN-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc2cnc3ccc(C#CCNC(=O)c4ccc[nH]c4=O)cc3c2n1C(C)C
InChIInChI=1S/C23H21N5O2/c1-14(2)28-15(3)27-20-13-26-19-9-8-16(12-18(19)21(20)28)6-4-10-24-22(29)17-7-5-11-25-23(17)30/h5,7-9,11-14H,10H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyXBUOLYUALGCAIG-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.94
Rot. Bonds3

About N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide

N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 67470038) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID67470038
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc2cnc3ccc(C#CCNC(=O)c4ccc[nH]c4=O)cc3c2n1C(C)C
InChIInChI=1S/C23H21N5O2/c1-14(2)28-15(3)27-20-13-26-19-9-8-16(12-18(19)21(20)28)6-4-10-24-22(29)17-7-5-11-25-23(17)30/h5,7-9,11-14H,10H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyXBUOLYUALGCAIG-UHFFFAOYSA-N
XLogP2.94
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide (CID 67470038) is N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1nc2cnc3ccc(C#CCNC(=O)c4ccc[nH]c4=O)cc3c2n1C(C)C.
What is the InChIKey of N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XBUOLYUALGCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-14(2)28-15(3)27-20-13-26-19-9-8-16(12-18(19)21(20)28)6-4-10-24-22(29)17-7-5-11-25-23(17)30/h5,7-9,11-14H,10H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 67470038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).