N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine

C28H29ClN4O — CID 162649779

IUPACN-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine
SMILESCOc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1
InChIInChI=1S/C28H29ClN4O/c1-34-25-17-23-5-3-11-31-28(23)26(18-25)32-27(22-4-2-6-24(29)16-22)21-9-7-20(8-10-21)19-33-14-12-30-13-15-33/h2-11,16-18,27,30,32H,12-15,19H2,1H3
InChIKeyVPDSUFBKDKQXKL-UHFFFAOYSA-N
MW473.02 g/mol
LogP5.50
Rot. Bonds7

About N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine

N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine (PubChem CID 162649779) has the molecular formula C28H29ClN4O and a molecular weight of 473.02 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine
PubChem CID162649779
Molecular FormulaC28H29ClN4O
Molecular Weight473.02 g/mol
Exact Mass472.20
IUPAC NameN-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine
SMILESCOc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1
InChIInChI=1S/C28H29ClN4O/c1-34-25-17-23-5-3-11-31-28(23)26(18-25)32-27(22-4-2-6-24(29)16-22)21-9-7-20(8-10-21)19-33-14-12-30-13-15-33/h2-11,16-18,27,30,32H,12-15,19H2,1H3
InChIKeyVPDSUFBKDKQXKL-UHFFFAOYSA-N
XLogP5.50
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine
CID 25003794
1-[(4-chlorophenyl)-phenylmethyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea
CID 118713307
7-chloro-N-[(3-chlorophenyl)-[4-[[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]phenyl]methyl]quinolin-4-amine
CID 126574934
N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]quinolin-8-amine
CID 3010304
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
CID 117374507
1-benzyl-4-[(3R)-3-(3-chlorophenyl)-3-(4-methoxyphenoxy)propyl]piperazine
CID 92998656
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine?
The IUPAC name of N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine (CID 162649779) is N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine?
The canonical SMILES for N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine is COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1.
What is the InChIKey of N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine?
The InChIKey is VPDSUFBKDKQXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O/c1-34-25-17-23-5-3-11-31-28(23)26(18-25)32-27(22-4-2-6-24(29)16-22)21-9-7-20(8-10-21)19-33-14-12-30-13-15-33/h2-11,16-18,27,30,32H,12-15,19H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine?
N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine has a molecular weight of 473.02 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine is sourced from PubChem (CID 162649779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).