N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C22H22N6O2 — CID 32576569

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCn1cnnc1-c1cccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C22H22N6O2/c1-3-27-14-24-26-21(27)16-7-5-8-17(12-16)25-19(29)10-11-28-13-23-20-15(2)6-4-9-18(20)22(28)30/h4-9,12-14H,3,10-11H2,1-2H3,(H,25,29)
InChIKeyYNNNZOZHHYWIJX-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 32576569) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID32576569
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCn1cnnc1-c1cccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C22H22N6O2/c1-3-27-14-24-26-21(27)16-7-5-8-17(12-16)25-19(29)10-11-28-13-23-20-15(2)6-4-9-18(20)22(28)30/h4-9,12-14H,3,10-11H2,1-2H3,(H,25,29)
InChIKeyYNNNZOZHHYWIJX-UHFFFAOYSA-N
XLogP3.01
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43049163
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide
CID 31917434
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119856932
S-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529448
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
CID 35410513

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 32576569) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is CCn1cnnc1-c1cccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is YNNNZOZHHYWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-3-27-14-24-26-21(27)16-7-5-8-17(12-16)25-19(29)10-11-28-13-23-20-15(2)6-4-9-18(20)22(28)30/h4-9,12-14H,3,10-11H2,1-2H3,(H,25,29).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 402.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 32576569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).