N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C23H26N4O2 — CID 8890755

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCCOc1ccc([C@H](C)Nc2nc3cc(C)nn3c3ccccc23)cc1OCC
InChIInChI=1S/C23H26N4O2/c1-5-28-20-12-11-17(14-21(20)29-6-2)16(4)24-23-18-9-7-8-10-19(18)27-22(25-23)13-15(3)26-27/h7-14,16H,5-6H2,1-4H3,(H,24,25)/t16-/m0/s1
InChIKeyYPHXMTGPAYLKNR-INIZCTEOSA-N
MW390.49 g/mol
LogP5.16
Rot. Bonds7

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 8890755) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID8890755
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCCOc1ccc([C@H](C)Nc2nc3cc(C)nn3c3ccccc23)cc1OCC
InChIInChI=1S/C23H26N4O2/c1-5-28-20-12-11-17(14-21(20)29-6-2)16(4)24-23-18-9-7-8-10-19(18)27-22(25-23)13-15(3)26-27/h7-14,16H,5-6H2,1-4H3,(H,24,25)/t16-/m0/s1
InChIKeyYPHXMTGPAYLKNR-INIZCTEOSA-N
XLogP5.16
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8892490
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 94874302
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890761
2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 95068261
2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8850832
N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133370583
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 71896337
N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 167967068
N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 172862616
3-(3-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]triazolo[1,5-a]quinazolin-5-amine
CID 95183254
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890756
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-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 8890755) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is CCOc1ccc([C@H](C)Nc2nc3cc(C)nn3c3ccccc23)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is YPHXMTGPAYLKNR-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-28-20-12-11-17(14-21(20)29-6-2)16(4)24-23-18-9-7-8-10-19(18)27-22(25-23)13-15(3)26-27/h7-14,16H,5-6H2,1-4H3,(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 390.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 8890755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).