7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine

C22H25N3OS — CID 178094061

IUPAC7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine
SMILESC/C=C\Sc1ccc(Nc2ccnc3cc(OC)c(N(C)C)cc23)cc1C
InChIInChI=1S/C22H25N3OS/c1-6-11-27-22-8-7-16(12-15(22)2)24-18-9-10-23-19-14-21(26-5)20(25(3)4)13-17(18)19/h6-14H,1-5H3,(H,23,24)/b11-6-
InChIKeyZMOUVLWJNCHGMN-WDZFZDKYSA-N
MW379.53 g/mol
LogP5.99
Rot. Bonds6

About 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine

7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine (PubChem CID 178094061) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine.

Molecular Properties

Compound Name7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine
PubChem CID178094061
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine
SMILESC/C=C\Sc1ccc(Nc2ccnc3cc(OC)c(N(C)C)cc23)cc1C
InChIInChI=1S/C22H25N3OS/c1-6-11-27-22-8-7-16(12-15(22)2)24-18-9-10-23-19-14-21(26-5)20(25(3)4)13-17(18)19/h6-14H,1-5H3,(H,23,24)/b11-6-
InChIKeyZMOUVLWJNCHGMN-WDZFZDKYSA-N
XLogP5.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine with MolForge

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Related Compounds

4-N-[4-[(E)-but-1-enyl]sulfanyl-3-methylphenyl]-6-N,6-N-dimethyl-7-(oxolan-3-ylmethoxy)quinoline-4,6-diamine;ethane
CID 178094181
4-N-(4-butylsulfanyl-3-methylphenyl)-6-N,6-N-dimethyl-7-(oxolan-3-ylmethoxy)quinoline-4,6-diamine;ethane
CID 178094222
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
4-N-(3-chloro-4-fluorophenyl)-7-methoxyquinoline-4,6-diamine
CID 141004590
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
4-(3-chloroanilino)-7-methoxyquinolin-6-ol
CID 25000015
1-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]sulfanylamino]propan-2-ol
CID 168886780
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine?
The IUPAC name of 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine (CID 178094061) is 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine.
What is the SMILES notation for 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine?
The canonical SMILES for 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine is C/C=C\Sc1ccc(Nc2ccnc3cc(OC)c(N(C)C)cc23)cc1C.
What is the InChIKey of 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine?
The InChIKey is ZMOUVLWJNCHGMN-WDZFZDKYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-6-11-27-22-8-7-16(12-15(22)2)24-18-9-10-23-19-14-21(26-5)20(25(3)4)13-17(18)19/h6-14H,1-5H3,(H,23,24)/b11-6-.
What are the key properties of 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine?
7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine has a molecular weight of 379.53 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-N,6-N-dimethyl-4-N-[3-methyl-4-[(Z)-prop-1-enyl]sulfanylphenyl]quinoline-4,6-diamine is sourced from PubChem (CID 178094061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).