N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C19H18N4O — CID 8850825

IUPACN-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1CNc1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C19H18N4O/c1-13-11-18-21-19(15-8-4-5-9-16(15)23(18)22-13)20-12-14-7-3-6-10-17(14)24-2/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeySXJOTENKJQFHTE-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.81
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 8850825) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID8850825
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1CNc1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C19H18N4O/c1-13-11-18-21-19(15-8-4-5-9-16(15)23(18)22-13)20-12-14-7-3-6-10-17(14)24-2/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeySXJOTENKJQFHTE-UHFFFAOYSA-N
XLogP3.81
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 71891768
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890761
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-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 94874302
N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 167967068
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 47024964
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2150159
3-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2135166
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 60503130
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 N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 8850825) is N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is COc1ccccc1CNc1nc2cc(C)nn2c2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is SXJOTENKJQFHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-11-18-21-19(15-8-4-5-9-16(15)23(18)22-13)20-12-14-7-3-6-10-17(14)24-2/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 318.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 8850825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).