N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine

C30H30ClN3 — CID 11997893

IUPACN-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C30H30ClN3/c31-26-12-13-27-28(14-18-33-29(27)22-26)32-17-7-19-34-20-15-25(16-21-34)30(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-14,18,22H,7,15-17,19-21H2,(H,32,33)
InChIKeyYOOXLPSNXZNHMC-UHFFFAOYSA-N
MW468.04 g/mol
LogP7.29
Rot. Bonds7

About N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine

N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine (PubChem CID 11997893) has the molecular formula C30H30ClN3 and a molecular weight of 468.04 g/mol. Its IUPAC name is N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
PubChem CID11997893
Molecular FormulaC30H30ClN3
Molecular Weight468.04 g/mol
Exact Mass467.21
IUPAC NameN-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C30H30ClN3/c31-26-12-13-27-28(14-18-33-29(27)22-26)32-17-7-19-34-20-15-25(16-21-34)30(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-14,18,22H,7,15-17,19-21H2,(H,32,33)
InChIKeyYOOXLPSNXZNHMC-UHFFFAOYSA-N
XLogP7.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.04
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448
7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine
CID 11995957
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
CID 23016541
7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
CID 58476711
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine?
The IUPAC name of N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine (CID 11997893) is N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine is Clc1ccc2c(NCCCN3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccnc2c1.
What is the InChIKey of N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine?
The InChIKey is YOOXLPSNXZNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3/c31-26-12-13-27-28(14-18-33-29(27)22-26)32-17-7-19-34-20-15-25(16-21-34)30(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-14,18,22H,7,15-17,19-21H2,(H,32,33).
What are the key properties of N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine?
N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine has a molecular weight of 468.04 g/mol, XLogP of 7.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine is sourced from PubChem (CID 11997893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).