N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

C25H28N6O — CID 71139473

IUPACN-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3ccc(N4CCN(CC5CC5)CC4)cc3)c3[nH]ncc3c2c1
InChIInChI=1S/C25H28N6O/c1-32-20-8-9-23-21(14-20)22-15-26-29-24(22)25(28-23)27-18-4-6-19(7-5-18)31-12-10-30(11-13-31)16-17-2-3-17/h4-9,14-15,17H,2-3,10-13,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyZYHANWAQDSCDKE-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.40
Rot. Bonds6

About N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 71139473) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID71139473
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3ccc(N4CCN(CC5CC5)CC4)cc3)c3[nH]ncc3c2c1
InChIInChI=1S/C25H28N6O/c1-32-20-8-9-23-21(14-20)22-15-26-29-24(22)25(28-23)27-18-4-6-19(7-5-18)31-12-10-30(11-13-31)16-17-2-3-17/h4-9,14-15,17H,2-3,10-13,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyZYHANWAQDSCDKE-UHFFFAOYSA-N
XLogP4.40
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139183
N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139640
7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 70977016
N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90103710
N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90104507
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139067
N-(2,3-dihydro-1-benzothiophen-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90104965
N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71138817
N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide
CID 71139516
N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139901
2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine
CID 71140123
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 73347441

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 71139473) is N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc2nc(Nc3ccc(N4CCN(CC5CC5)CC4)cc3)c3[nH]ncc3c2c1.
What is the InChIKey of N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is ZYHANWAQDSCDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-32-20-8-9-23-21(14-20)22-15-26-29-24(22)25(28-23)27-18-4-6-19(7-5-18)31-12-10-30(11-13-31)16-17-2-3-17/h4-9,14-15,17H,2-3,10-13,16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 71139473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).