(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine

C24H24N2OS — CID 26358983

IUPAC(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN[C@@H](C)c2cccs2)cc1
InChIInChI=1S/C24H24N2OS/c1-16-6-7-19-14-20(15-25-17(2)23-5-4-12-28-23)24(26-22(19)13-16)18-8-10-21(27-3)11-9-18/h4-14,17,25H,15H2,1-3H3/t17-/m0/s1
InChIKeyGHCYTFLLXIMCEV-KRWDZBQOSA-N
MW388.54 g/mol
LogP6.13
Rot. Bonds6

About (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine

(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine (PubChem CID 26358983) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
PubChem CID26358983
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN[C@@H](C)c2cccs2)cc1
InChIInChI=1S/C24H24N2OS/c1-16-6-7-19-14-20(15-25-17(2)23-5-4-12-28-23)24(26-22(19)13-16)18-8-10-21(27-3)11-9-18/h4-14,17,25H,15H2,1-3H3/t17-/m0/s1
InChIKeyGHCYTFLLXIMCEV-KRWDZBQOSA-N
XLogP6.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 72566384
1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol
CID 45166310
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
(1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 25338981
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95874612
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine (CID 26358983) is (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine is COc1ccc(-c2nc3cc(C)ccc3cc2CN[C@@H](C)c2cccs2)cc1.
What is the InChIKey of (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine?
The InChIKey is GHCYTFLLXIMCEV-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-16-6-7-19-14-20(15-25-17(2)23-5-4-12-28-23)24(26-22(19)13-16)18-8-10-21(27-3)11-9-18/h4-14,17,25H,15H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine has a molecular weight of 388.54 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 26358983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).