5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C22H23N5O3 — CID 50757534

IUPAC5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2c(=O)nc3c(-c4ccccc4)n[nH]n3c2c1
InChIInChI=1S/C22H23N5O3/c1-14(2)30-12-6-11-23-21(28)16-9-10-17-18(13-16)27-20(24-22(17)29)19(25-26-27)15-7-4-3-5-8-15/h3-5,7-10,13-14,26H,6,11-12H2,1-2H3,(H,23,28)
InChIKeyRRLAHBSFBMLIMI-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.78
Rot. Bonds7

About 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide

5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 50757534) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID50757534
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2c(=O)nc3c(-c4ccccc4)n[nH]n3c2c1
InChIInChI=1S/C22H23N5O3/c1-14(2)30-12-6-11-23-21(28)16-9-10-17-18(13-16)27-20(24-22(17)29)19(25-26-27)15-7-4-3-5-8-15/h3-5,7-10,13-14,26H,6,11-12H2,1-2H3,(H,23,28)
InChIKeyRRLAHBSFBMLIMI-UHFFFAOYSA-N
XLogP2.78
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(3-methylbutyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757500
3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757550
3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498827
N-[2-(4-chlorophenyl)ethyl]-3-(3-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757505
3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757512
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757504
2-phenyl-N-(3-propan-2-yloxypropyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 108788516
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide
CID 108790644
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 31306194
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 50757534) is 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide is CC(C)OCCCNC(=O)c1ccc2c(=O)nc3c(-c4ccccc4)n[nH]n3c2c1.
What is the InChIKey of 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is RRLAHBSFBMLIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14(2)30-12-6-11-23-21(28)16-9-10-17-18(13-16)27-20(24-22(17)29)19(25-26-27)15-7-4-3-5-8-15/h3-5,7-10,13-14,26H,6,11-12H2,1-2H3,(H,23,28).
What are the key properties of 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50757534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).