N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C26H29N3O5 — CID 4662421

IUPACN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C26H29N3O5/c1-17-13-24(29-9-11-34-12-10-29)28-21-7-6-19(16-20(17)21)27-25(30)8-5-18-14-22(31-2)26(33-4)23(15-18)32-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
InChIKeyNZSURHRVEXHEGO-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.06
Rot. Bonds7

About N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 4662421) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID4662421
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C26H29N3O5/c1-17-13-24(29-9-11-34-12-10-29)28-21-7-6-19(16-20(17)21)27-25(30)8-5-18-14-22(31-2)26(33-4)23(15-18)32-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
InChIKeyNZSURHRVEXHEGO-UHFFFAOYSA-N
XLogP4.06
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 46505210
3-(4-bromophenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)prop-2-enamide
CID 3266592
3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 3490612
3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 4244682
(E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 6265761
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2330677
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 22426962
ethyl 2-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]acetate
CID 46288473
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288477
2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
CID 46364051
(E)-N-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7922277
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 4662421) is N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is NZSURHRVEXHEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-17-13-24(29-9-11-34-12-10-29)28-21-7-6-19(16-20(17)21)27-25(30)8-5-18-14-22(31-2)26(33-4)23(15-18)32-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,30).
What are the key properties of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 463.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4662421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).