2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine

C21H22N4O3 — CID 71891768

IUPAC2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1cc(OC)c(CNc2nc3cc(C)nn3c3ccccc23)c(OC)c1
InChIInChI=1S/C21H22N4O3/c1-13-9-20-23-21(15-7-5-6-8-17(15)25(20)24-13)22-12-16-18(27-3)10-14(26-2)11-19(16)28-4/h5-11H,12H2,1-4H3,(H,22,23)
InChIKeyBHUMKCXKOYYNBG-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.83
Rot. Bonds6

About 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine

2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 71891768) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
PubChem CID71891768
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1cc(OC)c(CNc2nc3cc(C)nn3c3ccccc23)c(OC)c1
InChIInChI=1S/C21H22N4O3/c1-13-9-20-23-21(15-7-5-6-8-17(15)25(20)24-13)22-12-16-18(27-3)10-14(26-2)11-19(16)28-4/h5-11H,12H2,1-4H3,(H,22,23)
InChIKeyBHUMKCXKOYYNBG-UHFFFAOYSA-N
XLogP3.83
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8850832
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 71896337
N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 172862616
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890761
N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 167967068
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 94874302
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 47024964
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 60503130
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 142682247
2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide
CID 99792474
N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine
CID 51119804

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine (CID 71891768) is 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine is COc1cc(OC)c(CNc2nc3cc(C)nn3c3ccccc23)c(OC)c1.
What is the InChIKey of 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is BHUMKCXKOYYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-9-20-23-21(15-7-5-6-8-17(15)25(20)24-13)22-12-16-18(27-3)10-14(26-2)11-19(16)28-4/h5-11H,12H2,1-4H3,(H,22,23).
What are the key properties of 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine?
2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 378.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 71891768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).