N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

C24H26FN7O2 — CID 172560188

IUPACN-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(C)n1
InChIInChI=1S/C24H26FN7O2/c1-3-26-23(33)18-6-7-19(15(2)28-18)31-12-10-30(11-13-31)14-16-4-5-17-21(20(16)25)29-24(34)32-9-8-27-22(17)32/h4-9H,3,10-14H2,1-2H3,(H,26,33)(H,29,34)
InChIKeyXQKNAIQUPRSHRO-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 172560188) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID172560188
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC NameN-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(C)n1
InChIInChI=1S/C24H26FN7O2/c1-3-26-23(33)18-6-7-19(15(2)28-18)31-12-10-30(11-13-31)14-16-4-5-17-21(20(16)25)29-24(34)32-9-8-27-22(17)32/h4-9H,3,10-14H2,1-2H3,(H,26,33)(H,29,34)
InChIKeyXQKNAIQUPRSHRO-UHFFFAOYSA-N
XLogP2.09
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169266040
5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 170981265
5-[4-[(6-fluoro-2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 172560072
N-ethyl-5-[4-[(5-fluoro-3-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
CID 169102626
5-[4-[(3-ethyl-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 168900134
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
5-[4-[(8-fluoro-3-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3-methylpiperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 168900216
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110805
6-fluoro-5-[4-[(6-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982748
5-[4-[(5-chloro-3-ethyl-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
CID 168957145
6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (CID 172560188) is N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is CCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(C)n1.
What is the InChIKey of N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is XQKNAIQUPRSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-3-26-23(33)18-6-7-19(15(2)28-18)31-12-10-30(11-13-31)14-16-4-5-17-21(20(16)25)29-24(34)32-9-8-27-22(17)32/h4-9H,3,10-14H2,1-2H3,(H,26,33)(H,29,34).
What are the key properties of N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 172560188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).