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

C29H35ClN4O2 — CID 89017923

IUPACN-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN(CCC)C(=O)C(C)C)cccc12
InChIInChI=1S/C29H35ClN4O2/c1-7-13-33(9-3)26-15-21(6)32-28-23(26)11-10-12-27(28)36-19-24-22(16-31-17-25(24)30)18-34(14-8-2)29(35)20(4)5/h7,9-13,15-17,20H,3,8,14,18-19H2,1-2,4-6H3/b13-7-
InChIKeyHZAFBKQIOVCIGR-QPEQYQDCSA-N
MW507.08 g/mol
LogP7.05
Rot. Bonds11

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

N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide (PubChem CID 89017923) has the molecular formula C29H35ClN4O2 and a molecular weight of 507.08 g/mol. Its IUPAC name is N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide
PubChem CID89017923
Molecular FormulaC29H35ClN4O2
Molecular Weight507.08 g/mol
Exact Mass506.24
IUPAC NameN-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN(CCC)C(=O)C(C)C)cccc12
InChIInChI=1S/C29H35ClN4O2/c1-7-13-33(9-3)26-15-21(6)32-28-23(26)11-10-12-27(28)36-19-24-22(16-31-17-25(24)30)18-34(14-8-2)29(35)20(4)5/h7,9-13,15-17,20H,3,8,14,18-19H2,1-2,4-6H3/b13-7-
InChIKeyHZAFBKQIOVCIGR-QPEQYQDCSA-N
XLogP7.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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]butanamide
CID 89017954
1-[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]propyl N,N-dimethylcarbamate
CID 89018054
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
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
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
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
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 59484539
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide
CID 59484076

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide?
The IUPAC name of 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) is N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide?
The canonical SMILES for N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide is C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN(CCC)C(=O)C(C)C)cccc12.
What is the InChIKey of N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide?
The InChIKey is HZAFBKQIOVCIGR-QPEQYQDCSA-N. The full InChI is InChI=1S/C29H35ClN4O2/c1-7-13-33(9-3)26-15-21(6)32-28-23(26)11-10-12-27(28)36-19-24-22(16-31-17-25(24)30)18-34(14-8-2)29(35)20(4)5/h7,9-13,15-17,20H,3,8,14,18-19H2,1-2,4-6H3/b13-7-.
What are the key properties of N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide?
N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide has a molecular weight of 507.08 g/mol, XLogP of 7.05, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide is sourced from PubChem (CID 89017923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).