5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

C25H29FN6O3 — CID 170981265

IUPAC5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(=O)n(CC5CC5)c(=O)[nH]c4c3F)CC2)c(C)n1
InChIInChI=1S/C25H29FN6O3/c1-15-20(8-7-19(28-15)23(33)27-2)31-11-9-30(10-12-31)14-17-5-6-18-22(21(17)26)29-25(35)32(24(18)34)13-16-3-4-16/h5-8,16H,3-4,9-14H2,1-2H3,(H,27,33)(H,29,35)
InChIKeyBFUIBNJFNNJDCH-UHFFFAOYSA-N
MW480.54 g/mol
LogP1.62
Rot. Bonds6

About 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 170981265) has the molecular formula C25H29FN6O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID170981265
Molecular FormulaC25H29FN6O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC Name5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(=O)n(CC5CC5)c(=O)[nH]c4c3F)CC2)c(C)n1
InChIInChI=1S/C25H29FN6O3/c1-15-20(8-7-19(28-15)23(33)27-2)31-11-9-30(10-12-31)14-17-5-6-18-22(21(17)26)29-25(35)32(24(18)34)13-16-3-4-16/h5-8,16H,3-4,9-14H2,1-2H3,(H,27,33)(H,29,35)
InChIKeyBFUIBNJFNNJDCH-UHFFFAOYSA-N
XLogP1.62
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

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
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
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-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
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
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
6-fluoro-5-[4-[(6-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560205
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
6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (CID 170981265) is 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c(=O)n(CC5CC5)c(=O)[nH]c4c3F)CC2)c(C)n1.
What is the InChIKey of 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is BFUIBNJFNNJDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-15-20(8-7-19(28-15)23(33)27-2)31-11-9-30(10-12-31)14-17-5-6-18-22(21(17)26)29-25(35)32(24(18)34)13-16-3-4-16/h5-8,16H,3-4,9-14H2,1-2H3,(H,27,33)(H,29,35).
What are the key properties of 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 170981265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).