(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide

C22H23N3O2 — CID 6248311

IUPAC(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccco3)cc12
InChIInChI=1S/C22H23N3O2/c1-16-14-21(25-11-3-2-4-12-25)24-20-9-7-17(15-19(16)20)23-22(26)10-8-18-6-5-13-27-18/h5-10,13-15H,2-4,11-12H2,1H3,(H,23,26)/b10-8+
InChIKeyQQWQQZMOIXWVEI-CSKARUKUSA-N
MW361.45 g/mol
LogP4.78
Rot. Bonds4

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

(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide (PubChem CID 6248311) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
PubChem CID6248311
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccco3)cc12
InChIInChI=1S/C22H23N3O2/c1-16-14-21(25-11-3-2-4-12-25)24-20-9-7-17(15-19(16)20)23-22(26)10-8-18-6-5-13-27-18/h5-10,13-15H,2-4,11-12H2,1H3,(H,23,26)/b10-8+
InChIKeyQQWQQZMOIXWVEI-CSKARUKUSA-N
XLogP4.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 3490612
(E)-3-(furan-2-yl)-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)prop-2-enamide
CID 6309876
3-(4-bromophenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)prop-2-enamide
CID 3266592
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
CID 45488246
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 46251268
1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288414
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4662421
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 46505210
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 4244682

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide (CID 6248311) is (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide is Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccco3)cc12.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide?
The InChIKey is QQWQQZMOIXWVEI-CSKARUKUSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-14-21(25-11-3-2-4-12-25)24-20-9-7-17(15-19(16)20)23-22(26)10-8-18-6-5-13-27-18/h5-10,13-15H,2-4,11-12H2,1H3,(H,23,26)/b10-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide is sourced from PubChem (CID 6248311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).