N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine

C30H36N4 — CID 143781798

IUPACN-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine
SMILESC=C(c1ccccc1)N1CCN(c2ccc3c(c2)C(Nc2ccc(CC)cc2)CC(C)N3)CC1
InChIInChI=1S/C30H36N4/c1-4-24-10-12-26(13-11-24)32-30-20-22(2)31-29-15-14-27(21-28(29)30)34-18-16-33(17-19-34)23(3)25-8-6-5-7-9-25/h5-15,21-22,30-32H,3-4,16-20H2,1-2H3
InChIKeyKIMSEFRGZRPDDN-UHFFFAOYSA-N
MW452.65 g/mol
LogP6.40
Rot. Bonds6

About N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine

N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 143781798) has the molecular formula C30H36N4 and a molecular weight of 452.65 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID143781798
Molecular FormulaC30H36N4
Molecular Weight452.65 g/mol
Exact Mass452.29
IUPAC NameN-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine
SMILESC=C(c1ccccc1)N1CCN(c2ccc3c(c2)C(Nc2ccc(CC)cc2)CC(C)N3)CC1
InChIInChI=1S/C30H36N4/c1-4-24-10-12-26(13-11-24)32-30-20-22(2)31-29-15-14-27(21-28(29)30)34-18-16-33(17-19-34)23(3)25-8-6-5-7-9-25/h5-15,21-22,30-32H,3-4,16-20H2,1-2H3
InChIKeyKIMSEFRGZRPDDN-UHFFFAOYSA-N
XLogP6.40
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.65
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 715781
(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 21093001
1-(4-ethylphenyl)-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056891
N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44999577
1-(4-ethylphenyl)-3-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]urea
CID 1058024
(4-ethylphenyl)-[(3R)-3-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]piperidin-1-yl]methanone
CID 92872414
4-ethyl-N-(3-phenylcyclobutyl)aniline
CID 43632170
1-(4-ethylphenyl)-3-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1057995
6-ethyl-2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275946
6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 15789043
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
CID 109004339

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine (CID 143781798) is N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine is C=C(c1ccccc1)N1CCN(c2ccc3c(c2)C(Nc2ccc(CC)cc2)CC(C)N3)CC1.
What is the InChIKey of N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is KIMSEFRGZRPDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4/c1-4-24-10-12-26(13-11-24)32-30-20-22(2)31-29-15-14-27(21-28(29)30)34-18-16-33(17-19-34)23(3)25-8-6-5-7-9-25/h5-15,21-22,30-32H,3-4,16-20H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine?
N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 452.65 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 143781798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).