5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine

C32H34FN5S — CID 145037969

IUPAC5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine
SMILESCC/N=C(\C1=C(C)Cc2c(-c3ccsc3)ccc(C)c2N1)c1c(C)ncc(-c2cncc(NC(C)C)c2)c1F
InChIInChI=1S/C32H34FN5S/c1-7-35-32(28-21(6)36-16-27(29(28)33)23-13-24(15-34-14-23)37-18(2)3)31-20(5)12-26-25(22-10-11-39-17-22)9-8-19(4)30(26)38-31/h8-11,13-18,37-38H,7,12H2,1-6H3/b35-32-
InChIKeyUKMBTMYFRIGXTG-JCUPVDEDSA-N
MW539.72 g/mol
LogP8.20
Rot. Bonds7

About 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine

5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine (PubChem CID 145037969) has the molecular formula C32H34FN5S and a molecular weight of 539.72 g/mol. Its IUPAC name is 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine
PubChem CID145037969
Molecular FormulaC32H34FN5S
Molecular Weight539.72 g/mol
Exact Mass539.25
IUPAC Name5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine
SMILESCC/N=C(\C1=C(C)Cc2c(-c3ccsc3)ccc(C)c2N1)c1c(C)ncc(-c2cncc(NC(C)C)c2)c1F
InChIInChI=1S/C32H34FN5S/c1-7-35-32(28-21(6)36-16-27(29(28)33)23-13-24(15-34-14-23)37-18(2)3)31-20(5)12-26-25(22-10-11-39-17-22)9-8-19(4)30(26)38-31/h8-11,13-18,37-38H,7,12H2,1-6H3/b35-32-
InChIKeyUKMBTMYFRIGXTG-JCUPVDEDSA-N
XLogP8.20
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine
CID 164608888
US9802918, Example 85
CID 124089534
3-(4-Methylpiperazin-1-yl)-5-(thiophen-2-yl)quinoline
CID 50997457
10-Pyridin-2-yl-8-thiophen-2-yl-5,7-dihydrobenzo[d][1]benzazepine-6-thione
CID 44346075
2-(4-Fluorophenyl)-4-(4-thiophen-3-ylphenyl)-1,5-naphthyridine
CID 176424474
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}[(5-Methyl-2-Thienyl)Methyl]Amine
CID 66913731
N-[(5-methylthiophen-2-yl)methyl]-3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]aniline
CID 66913796
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(3-Thienylmethyl)Amine
CID 66914129
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(2-Thienylmethyl)Amine
CID 66914494
3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-8-thiophen-3-ylquinolin-4-amine
CID 67773979
4-Thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 69244594
4-Thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 69246355

Frequently Asked Questions

What is the IUPAC name of 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine (CID 145037969) is 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine is CC/N=C(\C1=C(C)Cc2c(-c3ccsc3)ccc(C)c2N1)c1c(C)ncc(-c2cncc(NC(C)C)c2)c1F.
What is the InChIKey of 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is UKMBTMYFRIGXTG-JCUPVDEDSA-N. The full InChI is InChI=1S/C32H34FN5S/c1-7-35-32(28-21(6)36-16-27(29(28)33)23-13-24(15-34-14-23)37-18(2)3)31-20(5)12-26-25(22-10-11-39-17-22)9-8-19(4)30(26)38-31/h8-11,13-18,37-38H,7,12H2,1-6H3/b35-32-.
What are the key properties of 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine?
5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 539.72 g/mol, XLogP of 8.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[C-(3,8-dimethyl-5-thiophen-3-yl-1,4-dihydroquinolin-2-yl)-N-ethylcarbonimidoyl]-4-fluoro-6-methyl-3-pyridinyl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 145037969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).