N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C20H22N4O3 — CID 20919240

IUPACN-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnn3c4c(cnc23)CCCC4)c1OC
InChIInChI=1S/C20H22N4O3/c1-26-17-9-5-7-14(18(17)27-2)11-22-20(25)15-12-23-24-16-8-4-3-6-13(16)10-21-19(15)24/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H,22,25)
InChIKeyYZIQAYRTRHEBRE-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.56
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 20919240) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID20919240
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnn3c4c(cnc23)CCCC4)c1OC
InChIInChI=1S/C20H22N4O3/c1-26-17-9-5-7-14(18(17)27-2)11-22-20(25)15-12-23-24-16-8-4-3-6-13(16)10-21-19(15)24/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H,22,25)
InChIKeyYZIQAYRTRHEBRE-UHFFFAOYSA-N
XLogP2.56
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919270
N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20886299
N-(thiophen-2-ylmethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919339
N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919208
N-(1,3-benzodioxol-5-ylmethyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919369
N-(3-chloro-2-methylphenyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919318
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613867
N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451794
N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919323
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 20919240) is N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is COc1cccc(CNC(=O)c2cnn3c4c(cnc23)CCCC4)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is YZIQAYRTRHEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-17-9-5-7-14(18(17)27-2)11-22-20(25)15-12-23-24-16-8-4-3-6-13(16)10-21-19(15)24/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H,22,25).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 20919240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).