3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one

C24H30N6O2 — CID 86935421

IUPAC3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
SMILESCCn1cnnc1C1CCCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)C1
InChIInChI=1S/C24H30N6O2/c1-2-28-16-25-27-22(28)18-8-7-12-29(15-18)23(31)17-10-11-19-20(14-17)26-21-9-5-3-4-6-13-30(21)24(19)32/h10-11,14,16,18H,2-9,12-13,15H2,1H3
InChIKeyWPPZGILHKDRUKW-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.14
Rot. Bonds3

About 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one

3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one (PubChem CID 86935421) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one.

Molecular Properties

Compound Name3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
PubChem CID86935421
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
SMILESCCn1cnnc1C1CCCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)C1
InChIInChI=1S/C24H30N6O2/c1-2-28-16-25-27-22(28)18-8-7-12-29(15-18)23(31)17-10-11-19-20(14-17)26-21-9-5-3-4-6-13-30(21)24(19)32/h10-11,14,16,18H,2-9,12-13,15H2,1H3
InChIKeyWPPZGILHKDRUKW-UHFFFAOYSA-N
XLogP3.14
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one with MolForge

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Related Compounds

(3S)-1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)piperidine-3-carboxylic acid
CID 120514015
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
2-[[4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 86935419
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
3-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 40508071
6-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 26661700
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;hydrochloride
CID 120807790
N-[1-(13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46443351
N-[(1-ethylpyrrolidin-2-yl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 6623210
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551018
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 20888942

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one?
The IUPAC name of 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one (CID 86935421) is 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one.
What is the SMILES notation for 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one?
The canonical SMILES for 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one is CCn1cnnc1C1CCCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)C1.
What is the InChIKey of 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one?
The InChIKey is WPPZGILHKDRUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-2-28-16-25-27-22(28)18-8-7-12-29(15-18)23(31)17-10-11-19-20(14-17)26-21-9-5-3-4-6-13-30(21)24(19)32/h10-11,14,16,18H,2-9,12-13,15H2,1H3.
What are the key properties of 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one?
3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one has a molecular weight of 434.54 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one is sourced from PubChem (CID 86935421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).