N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide

C19H21N3O2S — CID 166420981

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESC=CC(=O)N1CCCc2c(C(=O)N(C)Cc3nc(C)cs3)cccc21
InChIInChI=1S/C19H21N3O2S/c1-4-18(23)22-10-6-8-14-15(7-5-9-16(14)22)19(24)21(3)11-17-20-13(2)12-25-17/h4-5,7,9,12H,1,6,8,10-11H2,2-3H3
InChIKeySFMOIIWAQSZBFZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.19
Rot. Bonds4

About N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide

N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 166420981) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID166420981
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESC=CC(=O)N1CCCc2c(C(=O)N(C)Cc3nc(C)cs3)cccc21
InChIInChI=1S/C19H21N3O2S/c1-4-18(23)22-10-6-8-14-15(7-5-9-16(14)22)19(24)21(3)11-17-20-13(2)12-25-17/h4-5,7,9,12H,1,6,8,10-11H2,2-3H3
InChIKeySFMOIIWAQSZBFZ-UHFFFAOYSA-N
XLogP3.19
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid
CID 59570177
2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670318
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68608744
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166421066
N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420952
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 165439542
3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86783345
2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86786064
1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166420181
N-methyl-N-(2-phenylethyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413225
3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 118785531
1-[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166420189

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 166420981) is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide is C=CC(=O)N1CCCc2c(C(=O)N(C)Cc3nc(C)cs3)cccc21.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is SFMOIIWAQSZBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-18(23)22-10-6-8-14-15(7-5-9-16(14)22)19(24)21(3)11-17-20-13(2)12-25-17/h4-5,7,9,12H,1,6,8,10-11H2,2-3H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 166420981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).