N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine

C25H29BrClN3O2 — CID 67197279

IUPACN-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine
SMILESCCOc1cc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc(OCC)c1Br
InChIInChI=1S/C25H29BrClN3O2/c1-3-31-23-13-17(14-24(25(23)26)32-4-2)16-30-11-8-19(9-12-30)29-21-7-10-28-22-15-18(27)5-6-20(21)22/h5-7,10,13-15,19H,3-4,8-9,11-12,16H2,1-2H3,(H,28,29)
InChIKeyGZNIJUICWNFMMB-UHFFFAOYSA-N
MW518.88 g/mol
LogP6.52
Rot. Bonds8

About N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine

N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine (PubChem CID 67197279) has the molecular formula C25H29BrClN3O2 and a molecular weight of 518.88 g/mol. Its IUPAC name is N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine
PubChem CID67197279
Molecular FormulaC25H29BrClN3O2
Molecular Weight518.88 g/mol
Exact Mass517.11
IUPAC NameN-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine
SMILESCCOc1cc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc(OCC)c1Br
InChIInChI=1S/C25H29BrClN3O2/c1-3-31-23-13-17(14-24(25(23)26)32-4-2)16-30-11-8-19(9-12-30)29-21-7-10-28-22-15-18(27)5-6-20(21)22/h5-7,10,13-15,19H,3-4,8-9,11-12,16H2,1-2H3,(H,28,29)
InChIKeyGZNIJUICWNFMMB-UHFFFAOYSA-N
XLogP6.52
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.88
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]quinolin-4-amine
CID 67195433
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine
CID 67195886
7-chloro-N-[1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]quinolin-4-amine
CID 87306097
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 70199577
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
CID 64742610
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
6-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 46882226

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine?
The IUPAC name of N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine (CID 67197279) is N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine is CCOc1cc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc(OCC)c1Br.
What is the InChIKey of N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine?
The InChIKey is GZNIJUICWNFMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrClN3O2/c1-3-31-23-13-17(14-24(25(23)26)32-4-2)16-30-11-8-19(9-12-30)29-21-7-10-28-22-15-18(27)5-6-20(21)22/h5-7,10,13-15,19H,3-4,8-9,11-12,16H2,1-2H3,(H,28,29).
What are the key properties of N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine?
N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine has a molecular weight of 518.88 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine is sourced from PubChem (CID 67197279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).