N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide

C30H34N4O2S — CID 71138579

IUPACN-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide
SMILESCOc1ccc(CNc2nc3ccc(-c4cscn4)cc3cc2CCC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C30H34N4O2S/c1-36-26-11-7-22(8-12-26)18-32-30-24(10-14-29(35)31-17-21-5-3-2-4-6-21)16-25-15-23(9-13-27(25)34-30)28-19-37-20-33-28/h7-9,11-13,15-16,19-21H,2-6,10,14,17-18H2,1H3,(H,31,35)(H,32,34)
InChIKeyWKIKQGNGEHPZTK-UHFFFAOYSA-N
MW514.70 g/mol
LogP6.61
Rot. Bonds10

About N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide

N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide (PubChem CID 71138579) has the molecular formula C30H34N4O2S and a molecular weight of 514.70 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide
PubChem CID71138579
Molecular FormulaC30H34N4O2S
Molecular Weight514.70 g/mol
Exact Mass514.24
IUPAC NameN-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide
SMILESCOc1ccc(CNc2nc3ccc(-c4cscn4)cc3cc2CCC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C30H34N4O2S/c1-36-26-11-7-22(8-12-26)18-32-30-24(10-14-29(35)31-17-21-5-3-2-4-6-21)16-25-15-23(9-13-27(25)34-30)28-19-37-20-33-28/h7-9,11-13,15-16,19-21H,2-6,10,14,17-18H2,1H3,(H,31,35)(H,32,34)
InChIKeyWKIKQGNGEHPZTK-UHFFFAOYSA-N
XLogP6.61
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.70
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide
CID 118970656
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N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90555324
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CID 71138616
N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55409251
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-(cyclohexylmethyl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanamide
CID 46099288
N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide
CID 142228243
cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide (CID 71138579) is N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide is COc1ccc(CNc2nc3ccc(-c4cscn4)cc3cc2CCC(=O)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide?
The InChIKey is WKIKQGNGEHPZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2S/c1-36-26-11-7-22(8-12-26)18-32-30-24(10-14-29(35)31-17-21-5-3-2-4-6-21)16-25-15-23(9-13-27(25)34-30)28-19-37-20-33-28/h7-9,11-13,15-16,19-21H,2-6,10,14,17-18H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide?
N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide has a molecular weight of 514.70 g/mol, XLogP of 6.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[2-[(4-methoxyphenyl)methylamino]-6-(1,3-thiazol-4-yl)quinolin-3-yl]propanamide is sourced from PubChem (CID 71138579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).