N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine

C21H23N5O2 — CID 70976491

IUPACN-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
SMILESCOc1cc(OC)c2nc(Nc3ccc(CN(C)C)cc3)c3[nH]ncc3c2c1
InChIInChI=1S/C21H23N5O2/c1-26(2)12-13-5-7-14(8-6-13)23-21-20-17(11-22-25-20)16-9-15(27-3)10-18(28-4)19(16)24-21/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyRQYSLQITPGWAPV-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.93
Rot. Bonds6

About N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine

N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 70976491) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
PubChem CID70976491
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
SMILESCOc1cc(OC)c2nc(Nc3ccc(CN(C)C)cc3)c3[nH]ncc3c2c1
InChIInChI=1S/C21H23N5O2/c1-26(2)12-13-5-7-14(8-6-13)23-21-20-17(11-22-25-20)16-9-15(27-3)10-18(28-4)19(16)24-21/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyRQYSLQITPGWAPV-UHFFFAOYSA-N
XLogP3.93
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine (CID 70976491) is N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine is COc1cc(OC)c2nc(Nc3ccc(CN(C)C)cc3)c3[nH]ncc3c2c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is RQYSLQITPGWAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26(2)12-13-5-7-14(8-6-13)23-21-20-17(11-22-25-20)16-9-15(27-3)10-18(28-4)19(16)24-21/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine?
N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 377.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-6,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 70976491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).