N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

C23H23N5O3 — CID 22425034

IUPACN-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCC4)cc3n3c(=O)[nH]nc23)cc1
InChIInChI=1S/C23H23N5O3/c1-14-6-8-15(9-7-14)13-27-21(30)18-11-10-16(20(29)24-17-4-2-3-5-17)12-19(18)28-22(27)25-26-23(28)31/h6-12,17H,2-5,13H2,1H3,(H,24,29)(H,26,31)
InChIKeyZVSAKDHULQSCQE-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.37
Rot. Bonds4

About N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 22425034) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
PubChem CID22425034
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCC4)cc3n3c(=O)[nH]nc23)cc1
InChIInChI=1S/C23H23N5O3/c1-14-6-8-15(9-7-14)13-27-21(30)18-11-10-16(20(29)24-17-4-2-3-5-17)12-19(18)28-22(27)25-26-23(28)31/h6-12,17H,2-5,13H2,1H3,(H,24,29)(H,26,31)
InChIKeyZVSAKDHULQSCQE-UHFFFAOYSA-N
XLogP2.37
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyanomethyl)-N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775156
N-cyclohexyl-2-[(4-fluorophenyl)methyl]-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774863
N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793472
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopentyl-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 46284504
N-cyclopentyl-4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774474
N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111456
N-cyclopentyl-4-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775173
N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 4103926
3-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3282553
N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide
CID 69454933
2-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-(2-methylpropyl)-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774710
N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 130460812

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 22425034) is N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCC4)cc3n3c(=O)[nH]nc23)cc1.
What is the InChIKey of N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The InChIKey is ZVSAKDHULQSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-6-8-15(9-7-14)13-27-21(30)18-11-10-16(20(29)24-17-4-2-3-5-17)12-19(18)28-22(27)25-26-23(28)31/h6-12,17H,2-5,13H2,1H3,(H,24,29)(H,26,31).
What are the key properties of N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 22425034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).