7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine

C28H29ClN4 — CID 58476711

IUPAC7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCN3CCC(N(c4ccccc4)c4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C28H29ClN4/c29-22-11-12-26-27(13-16-30-28(26)21-22)31-17-20-32-18-14-25(15-19-32)33(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-13,16,21,25H,14-15,17-20H2,(H,30,31)
InChIKeySJDBLNDDHQYMCF-UHFFFAOYSA-N
MW457.02 g/mol
LogP6.60
Rot. Bonds7

About 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine

7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine (PubChem CID 58476711) has the molecular formula C28H29ClN4 and a molecular weight of 457.02 g/mol. Its IUPAC name is 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
PubChem CID58476711
Molecular FormulaC28H29ClN4
Molecular Weight457.02 g/mol
Exact Mass456.21
IUPAC Name7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCN3CCC(N(c4ccccc4)c4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C28H29ClN4/c29-22-11-12-26-27(13-16-30-28(26)21-22)31-17-20-32-18-14-25(15-19-32)33(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-13,16,21,25H,14-15,17-20H2,(H,30,31)
InChIKeySJDBLNDDHQYMCF-UHFFFAOYSA-N
XLogP6.60
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.02
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine
CID 11995957
4-chloro-1-methylpiperidine;7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine;2-[(7-chloroquinolin-4-yl)amino]ethyl methanesulfonate;N,N-diphenylpiperidin-4-amine;1-methyl-N,N-diphenylpiperidin-4-amine;N-phenylaniline
CID 162055250
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 11997893
7-chloro-N-[2-[4-[cyclopenta-1,3-dien-1-ylmethyl(1H-pyrrol-2-ylmethyl)amino]piperidin-1-yl]ethyl]quinolin-4-amine
CID 58476775
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
7-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52949780
N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine
CID 159980806
7-chloro-N-[2-[4-(2,3-didehydro-9,10-dihydroanthracen-9-yl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 143278241

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine (CID 58476711) is 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine is Clc1ccc2c(NCCN3CCC(N(c4ccccc4)c4ccccc4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine?
The InChIKey is SJDBLNDDHQYMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4/c29-22-11-12-26-27(13-16-30-28(26)21-22)31-17-20-32-18-14-25(15-19-32)33(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-13,16,21,25H,14-15,17-20H2,(H,30,31).
What are the key properties of 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine?
7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine has a molecular weight of 457.02 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine is sourced from PubChem (CID 58476711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).