6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C23H29ClN6O2 — CID 169102604

IUPAC6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)N(CC)C4)CC2)c(Cl)n1
InChIInChI=1S/C23H29ClN6O2/c1-3-25-22(31)18-7-8-20(21(24)26-18)30-11-9-28(10-12-30)14-16-5-6-17-15-29(4-2)23(32)27-19(17)13-16/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,25,31)(H,27,32)
InChIKeyKJVKBNOJEUHTSN-UHFFFAOYSA-N
MW456.98 g/mol
LogP3.17
Rot. Bonds6

About 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 169102604) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID169102604
Molecular FormulaC23H29ClN6O2
Molecular Weight456.98 g/mol
Exact Mass456.20
IUPAC Name6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)N(CC)C4)CC2)c(Cl)n1
InChIInChI=1S/C23H29ClN6O2/c1-3-25-22(31)18-7-8-20(21(24)26-18)30-11-9-28(10-12-30)14-16-5-6-17-15-29(4-2)23(32)27-19(17)13-16/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,25,31)(H,27,32)
InChIKeyKJVKBNOJEUHTSN-UHFFFAOYSA-N
XLogP3.17
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-ethyl-5-[4-[(3-ethyl-5-fluoro-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169102575
4-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylbenzamide
CID 170981311
6-chloro-N-methyl-5-[4-[[3-oxo-2-(trifluoromethyl)-4H-quinolin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 159964835
N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171444818
6-chloro-5-[4-[(3-ethyl-5-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169102585
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
6-chloro-5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586931
6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572846
N-ethyl-3-methyl-4-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
CID 154584559
6-chloro-5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524577
6-chloro-5-[4-[(9-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572891
N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 154584595

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 169102604) is 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)N(CC)C4)CC2)c(Cl)n1.
What is the InChIKey of 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is KJVKBNOJEUHTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O2/c1-3-25-22(31)18-7-8-20(21(24)26-18)30-11-9-28(10-12-30)14-16-5-6-17-15-29(4-2)23(32)27-19(17)13-16/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,25,31)(H,27,32).
What are the key properties of 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 456.98 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-5-[4-[(3-ethyl-2-oxo-1,4-dihydroquinazolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169102604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).