7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine

C26H32ClN3O2 — CID 67195886

IUPAC7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine
SMILESCOc1ccc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1OCC(C)C
InChIInChI=1S/C26H32ClN3O2/c1-18(2)17-32-26-14-19(4-7-25(26)31-3)16-30-12-9-21(10-13-30)29-23-8-11-28-24-15-20(27)5-6-22(23)24/h4-8,11,14-15,18,21H,9-10,12-13,16-17H2,1-3H3,(H,28,29)
InChIKeyVBNMPSJFEYIEAH-UHFFFAOYSA-N
MW454.01 g/mol
LogP6.01
Rot. Bonds8

About 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine

7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine (PubChem CID 67195886) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine
PubChem CID67195886
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine
SMILESCOc1ccc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1OCC(C)C
InChIInChI=1S/C26H32ClN3O2/c1-18(2)17-32-26-14-19(4-7-25(26)31-3)16-30-12-9-21(10-13-30)29-23-8-11-28-24-15-20(27)5-6-22(23)24/h4-8,11,14-15,18,21H,9-10,12-13,16-17H2,1-3H3,(H,28,29)
InChIKeyVBNMPSJFEYIEAH-UHFFFAOYSA-N
XLogP6.01
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.01
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-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-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]quinolin-4-amine
CID 87306097
N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine
CID 67197279
4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 70199577
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
CID 24826467
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
N-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpyridin-4-amine
CID 67197649
4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride
CID 70203319
6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 55829581

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine (CID 67195886) is 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine is COc1ccc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc1OCC(C)C.
What is the InChIKey of 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine?
The InChIKey is VBNMPSJFEYIEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-18(2)17-32-26-14-19(4-7-25(26)31-3)16-30-12-9-21(10-13-30)29-23-8-11-28-24-15-20(27)5-6-22(23)24/h4-8,11,14-15,18,21H,9-10,12-13,16-17H2,1-3H3,(H,28,29).
What are the key properties of 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine?
7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine has a molecular weight of 454.01 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine is sourced from PubChem (CID 67195886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).