4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine

C20H29N3O — CID 90677976

IUPAC4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine
SMILESCC/C(C)=C\c1ccnc2c(NC(C)CCCN)cc(OC)cc12
InChIInChI=1S/C20H29N3O/c1-5-14(2)11-16-8-10-22-20-18(16)12-17(24-4)13-19(20)23-15(3)7-6-9-21/h8,10-13,15,23H,5-7,9,21H2,1-4H3/b14-11-
InChIKeyCDWUKYZUHBXBGF-KAMYIIQDSA-N
MW327.47 g/mol
LogP4.60
Rot. Bonds8

About 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine

4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine (PubChem CID 90677976) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine
PubChem CID90677976
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine
SMILESCC/C(C)=C\c1ccnc2c(NC(C)CCCN)cc(OC)cc12
InChIInChI=1S/C20H29N3O/c1-5-14(2)11-16-8-10-22-20-18(16)12-17(24-4)13-19(20)23-15(3)7-6-9-21/h8,10-13,15,23H,5-7,9,21H2,1-4H3/b14-11-
InChIKeyCDWUKYZUHBXBGF-KAMYIIQDSA-N
XLogP4.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine with MolForge

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Related Compounds

4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 12529741
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106543464
4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 90672251
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
but-2-enedioic acid;4-N-(6-methoxy-5-propoxyquinolin-8-yl)pentane-1,4-diamine
CID 70478311
1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol
CID 86741428
but-2-enedioic acid;4-N-(6-methoxy-4-methyl-5-pentoxyquinolin-8-yl)pentane-1,4-diamine
CID 70478090
4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 12827756
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815
4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 12827754
N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine?
The IUPAC name of 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine (CID 90677976) is 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine.
What is the SMILES notation for 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine?
The canonical SMILES for 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine is CC/C(C)=C\c1ccnc2c(NC(C)CCCN)cc(OC)cc12.
What is the InChIKey of 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine?
The InChIKey is CDWUKYZUHBXBGF-KAMYIIQDSA-N. The full InChI is InChI=1S/C20H29N3O/c1-5-14(2)11-16-8-10-22-20-18(16)12-17(24-4)13-19(20)23-15(3)7-6-9-21/h8,10-13,15,23H,5-7,9,21H2,1-4H3/b14-11-.
What are the key properties of 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine?
4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine has a molecular weight of 327.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine is sourced from PubChem (CID 90677976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).