1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one

C26H28ClN5O2 — CID 89017934

IUPAC1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN3CCN(C)C3=O)cccc12
InChIInChI=1S/C26H28ClN5O2/c1-5-10-31(6-2)23-13-18(3)29-25-20(23)8-7-9-24(25)34-17-21-19(14-28-15-22(21)27)16-32-12-11-30(4)26(32)33/h5-10,13-15H,2,11-12,16-17H2,1,3-4H3/b10-5-
InChIKeyYMIPUBWRJWPAFS-YHYXMXQVSA-N
MW478.00 g/mol
LogP5.52
Rot. Bonds8

About 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one

1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one (PubChem CID 89017934) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one
PubChem CID89017934
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN3CCN(C)C3=O)cccc12
InChIInChI=1S/C26H28ClN5O2/c1-5-10-31(6-2)23-13-18(3)29-25-20(23)8-7-9-24(25)34-17-21-19(14-28-15-22(21)27)16-32-12-11-30(4)26(32)33/h5-10,13-15H,2,11-12,16-17H2,1,3-4H3/b10-5-
InChIKeyYMIPUBWRJWPAFS-YHYXMXQVSA-N
XLogP5.52
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]butanamide
CID 89017954
N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
CID 89018125
N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide
CID 89017923
8-[(3-chloro-5-thiophen-2-ylsulfanyl-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 88952729
8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89018042
8-[[3-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89229082
1-[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]propyl N,N-dimethylcarbamate
CID 89018054
N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide
CID 145480874
N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine
CID 89017985
8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89229064
(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 59484179
1-[5-chloro-4-[[4-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]ethanone
CID 89018047

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one (CID 89017934) is 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one is C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN3CCN(C)C3=O)cccc12.
What is the InChIKey of 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one?
The InChIKey is YMIPUBWRJWPAFS-YHYXMXQVSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-5-10-31(6-2)23-13-18(3)29-25-20(23)8-7-9-24(25)34-17-21-19(14-28-15-22(21)27)16-32-12-11-30(4)26(32)33/h5-10,13-15H,2,11-12,16-17H2,1,3-4H3/b10-5-.
What are the key properties of 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one?
1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one has a molecular weight of 478.00 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 89017934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).