N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C20H17N5O3 — CID 50757462

IUPACN-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCOc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NC4CC4)cc23)cc1
InChIInChI=1S/C20H17N5O3/c1-28-14-7-2-11(3-8-14)17-18-22-20(27)15-9-4-12(19(26)21-13-5-6-13)10-16(15)25(18)24-23-17/h2-4,7-10,13,24H,5-6H2,1H3,(H,21,26)
InChIKeyRUUOTHMPWRUUNO-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.14
Rot. Bonds4

About N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 50757462) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID50757462
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCOc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NC4CC4)cc23)cc1
InChIInChI=1S/C20H17N5O3/c1-28-14-7-2-11(3-8-14)17-18-22-20(27)15-9-4-12(19(26)21-13-5-6-13)10-16(15)25(18)24-23-17/h2-4,7-10,13,24H,5-6H2,1H3,(H,21,26)
InChIKeyRUUOTHMPWRUUNO-UHFFFAOYSA-N
XLogP2.14
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757519
3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498841
N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757527
3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 46274665
N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 46274663
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905235
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
5-(4-methoxyphenyl)-N-piperidin-4-ylpyridine-3-carboxamide
CID 71730777
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
CID 119475519

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 50757462) is N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is COc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NC4CC4)cc23)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is RUUOTHMPWRUUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-14-7-2-11(3-8-14)17-18-22-20(27)15-9-4-12(19(26)21-13-5-6-13)10-16(15)25(18)24-23-17/h2-4,7-10,13,24H,5-6H2,1H3,(H,21,26).
What are the key properties of N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50757462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).