N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

C24H32N6O4 — CID 50774981

IUPACN-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCC(C)NC(=O)Cn1nc2n(C(C)C)c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n2c1=O
InChIInChI=1S/C24H32N6O4/c1-14(2)25-20(31)13-28-24(34)30-19-12-16(21(32)26-17-8-6-5-7-9-17)10-11-18(19)22(33)29(15(3)4)23(30)27-28/h10-12,14-15,17H,5-9,13H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyIDLRLMLXGZQLKT-UHFFFAOYSA-N
MW468.56 g/mol
LogP1.98
Rot. Bonds6

About N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 50774981) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
PubChem CID50774981
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC NameN-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCC(C)NC(=O)Cn1nc2n(C(C)C)c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n2c1=O
InChIInChI=1S/C24H32N6O4/c1-14(2)25-20(31)13-28-24(34)30-19-12-16(21(32)26-17-8-6-5-7-9-17)10-11-18(19)22(33)29(15(3)4)23(30)27-28/h10-12,14-15,17H,5-9,13H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyIDLRLMLXGZQLKT-UHFFFAOYSA-N
XLogP1.98
TPSA119.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The IUPAC name of N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 50774981) is N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The canonical SMILES for N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is CC(C)NC(=O)Cn1nc2n(C(C)C)c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n2c1=O.
What is the InChIKey of N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The InChIKey is IDLRLMLXGZQLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-14(2)25-20(31)13-28-24(34)30-19-12-16(21(32)26-17-8-6-5-7-9-17)10-11-18(19)22(33)29(15(3)4)23(30)27-28/h10-12,14-15,17H,5-9,13H2,1-4H3,(H,25,31)(H,26,32).
What are the key properties of N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50774981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).