3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide

C26H29N3O3 — CID 3490612

IUPAC3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c1OC
InChIInChI=1S/C26H29N3O3/c1-18-16-24(29-14-5-4-6-15-29)28-22-12-11-20(17-21(18)22)27-25(30)13-10-19-8-7-9-23(31-2)26(19)32-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,30)
InChIKeyRLBOANYLNSXPKA-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.20
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide

3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide (PubChem CID 3490612) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
PubChem CID3490612
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c1OC
InChIInChI=1S/C26H29N3O3/c1-18-16-24(29-14-5-4-6-15-29)28-22-12-11-20(17-21(18)22)27-25(30)13-10-19-8-7-9-23(31-2)26(19)32-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,30)
InChIKeyRLBOANYLNSXPKA-UHFFFAOYSA-N
XLogP5.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 4244682
(E)-N-[4-(azepan-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7582196
(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 46505210
(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 6248311
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4662421
(E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 6265761
(E)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 6047140
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
CID 45488246
2,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 4648744
(E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride
CID 146051436
(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 8001993
4-(2-methoxyphenyl)-N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)piperazine-1-carbothioamide
CID 46251263

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide (CID 3490612) is 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide is COc1cccc(C=CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide?
The InChIKey is RLBOANYLNSXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18-16-24(29-14-5-4-6-15-29)28-22-12-11-20(17-21(18)22)27-25(30)13-10-19-8-7-9-23(31-2)26(19)32-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,30).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide?
3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide has a molecular weight of 431.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide is sourced from PubChem (CID 3490612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).