N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide

C25H22N6O2S — CID 36729620

IUPACN-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide
SMILESCCn1c(=O)c2ccccc2n2c(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)nnc12
InChIInChI=1S/C25H22N6O2S/c1-2-30-24(33)17-8-4-6-10-20(17)31-21(28-29-25(30)31)14-34-22-13-18(23(32)26-15-11-12-15)16-7-3-5-9-19(16)27-22/h3-10,13,15H,2,11-12,14H2,1H3,(H,26,32)
InChIKeyUMSPEHFJFADAAA-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.80
Rot. Bonds6

About N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide

N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide (PubChem CID 36729620) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide
PubChem CID36729620
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC NameN-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide
SMILESCCn1c(=O)c2ccccc2n2c(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)nnc12
InChIInChI=1S/C25H22N6O2S/c1-2-30-24(33)17-8-4-6-10-20(17)31-21(28-29-25(30)31)14-34-22-13-18(23(32)26-15-11-12-15)16-7-3-5-9-19(16)27-22/h3-10,13,15H,2,11-12,14H2,1H3,(H,26,32)
InChIKeyUMSPEHFJFADAAA-UHFFFAOYSA-N
XLogP3.80
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]phenyl]acetamide
CID 36562613
N-cyclopropyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 17413281
N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27624686
N-cyclopropyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493452
2-(4-cyano-4-methylpentyl)sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 71864722
N-cyclopropyl-2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645921
N-cyclopropyl-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 39006337
N-cyclopropyl-2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]sulfanylquinoline-4-carboxamide
CID 74633448
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
N-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645988
N-cyclopropyl-2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27625913
4-ethyl-1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 36641371

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide (CID 36729620) is N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide is CCn1c(=O)c2ccccc2n2c(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)nnc12.
What is the InChIKey of N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide?
The InChIKey is UMSPEHFJFADAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c1-2-30-24(33)17-8-4-6-10-20(17)31-21(28-29-25(30)31)14-34-22-13-18(23(32)26-15-11-12-15)16-7-3-5-9-19(16)27-22/h3-10,13,15H,2,11-12,14H2,1H3,(H,26,32).
What are the key properties of N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide?
N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylsulfanyl]quinoline-4-carboxamide is sourced from PubChem (CID 36729620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).