N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine

C23H25Cl2N5O — CID 89017985

IUPACN'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(NCCN)c3Cl)cccc12
InChIInChI=1S/C23H25Cl2N5O/c1-4-11-30(5-2)19-12-15(3)29-22-16(19)7-6-8-20(22)31-14-17-18(24)13-28-23(21(17)25)27-10-9-26/h4-8,11-13H,2,9-10,14,26H2,1,3H3,(H,27,28)/b11-4-
InChIKeyKWPPZYBOGYCLAL-WCIBSUBMSA-N
MW458.39 g/mol
LogP5.68
Rot. Bonds9

About N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine

N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 89017985) has the molecular formula C23H25Cl2N5O and a molecular weight of 458.39 g/mol. Its IUPAC name is N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID89017985
Molecular FormulaC23H25Cl2N5O
Molecular Weight458.39 g/mol
Exact Mass457.14
IUPAC NameN'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(NCCN)c3Cl)cccc12
InChIInChI=1S/C23H25Cl2N5O/c1-4-11-30(5-2)19-12-15(3)29-22-16(19)7-6-8-20(22)31-14-17-18(24)13-28-23(21(17)25)27-10-9-26/h4-8,11-13H,2,9-10,14,26H2,1,3H3,(H,27,28)/b11-4-
InChIKeyKWPPZYBOGYCLAL-WCIBSUBMSA-N
XLogP5.68
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine with MolForge

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Related Compounds

8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89018042
N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]butanamide
CID 89017954
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
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
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
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-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89229064
N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide
CID 145480874
2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
CID 59484278
N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
CID 18321969

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of 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) is N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine is C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(NCCN)c3Cl)cccc12.
What is the InChIKey of N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is KWPPZYBOGYCLAL-WCIBSUBMSA-N. The full InChI is InChI=1S/C23H25Cl2N5O/c1-4-11-30(5-2)19-12-15(3)29-22-16(19)7-6-8-20(22)31-14-17-18(24)13-28-23(21(17)25)27-10-9-26/h4-8,11-13H,2,9-10,14,26H2,1,3H3,(H,27,28)/b11-4-.
What are the key properties of N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine?
N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 458.39 g/mol, XLogP of 5.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 89017985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).