(7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane

C36H52N6O4S2 — CID 159052486

IUPAC(7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane
SMILESCC(C)N.COc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)C)cc(CN)nc2c1.S
InChIInChI=1S/C19H23N3O2S.C14H18N2O2.C3H9N.H2S/c1-11(2)20-19-22-17(10-25-19)16-9-18(24-12(3)4)14-7-6-13(23-5)8-15(14)21-16;1-9(2)18-14-6-10(8-15)16-13-7-11(17-3)4-5-12(13)14;1-3(2)4;/h6-12H,1-5H3,(H,20,22);4-7,9H,8,15H2,1-3H3;3H,4H2,1-2H3;1H2
InChIKeyJXLCEVIWDDYVDM-UHFFFAOYSA-N
MW696.98 g/mol
LogP7.93
Rot. Bonds10

About (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane

(7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane (PubChem CID 159052486) has the molecular formula C36H52N6O4S2 and a molecular weight of 696.98 g/mol. Its IUPAC name is (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane.

Molecular Properties

Compound Name(7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane
PubChem CID159052486
Molecular FormulaC36H52N6O4S2
Molecular Weight696.98 g/mol
Exact Mass696.35
IUPAC Name(7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane
SMILESCC(C)N.COc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)C)cc(CN)nc2c1.S
InChIInChI=1S/C19H23N3O2S.C14H18N2O2.C3H9N.H2S/c1-11(2)20-19-22-17(10-25-19)16-9-18(24-12(3)4)14-7-6-13(23-5)8-15(14)21-16;1-9(2)18-14-6-10(8-15)16-13-7-11(17-3)4-5-12(13)14;1-3(2)4;/h6-12H,1-5H3,(H,20,22);4-7,9H,8,15H2,1-3H3;3H,4H2,1-2H3;1H2
InChIKeyJXLCEVIWDDYVDM-UHFFFAOYSA-N
XLogP7.93
TPSA139.66 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500696.98
LogP ≤ 57.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[4-[[(2,4-Diamino-5-quinazolinyl)oxy]methyl]-1-piperidinyl]methyl]-2-thiazolyl]acetamide
CID 44242592
3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 71458522
(1R,4S,14S,Z)-4-(2-(2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yloxy)ethyl)-7-methyl-N-(1-methylcyclopropylsulfonyl)-3,6-dioxo-2,5,7-triazabicyclo[12.1.0]pentadec-12-ene-1-carboxamide
CID 57578690
2-[ethyl-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 71456683
2-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 71449554
3-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 71453160
2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 71458521
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(pyridin-2-ylmethylamino)phenyl]-1,3-thiazol-2-amine
CID 44408263
[8-Bromo-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl] 4-methylbenzenesulfonate
CID 88219437
N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine
CID 57785318
4-[4-[(2-methylpropan-2-yl)oxy]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 57785721
4-[8-fluoro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 57859358

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane?
The IUPAC name of (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane (CID 159052486) is (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane.
What is the SMILES notation for (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane?
The canonical SMILES for (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane is CC(C)N.COc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)C)cc(CN)nc2c1.S.
What is the InChIKey of (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane?
The InChIKey is JXLCEVIWDDYVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.C14H18N2O2.C3H9N.H2S/c1-11(2)20-19-22-17(10-25-19)16-9-18(24-12(3)4)14-7-6-13(23-5)8-15(14)21-16;1-9(2)18-14-6-10(8-15)16-13-7-11(17-3)4-5-12(13)14;1-3(2)4;/h6-12H,1-5H3,(H,20,22);4-7,9H,8,15H2,1-3H3;3H,4H2,1-2H3;1H2.
What are the key properties of (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane?
(7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane has a molecular weight of 696.98 g/mol, XLogP of 7.93, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4-propan-2-yloxyquinolin-2-yl)methanamine;4-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine;propan-2-amine;sulfane is sourced from PubChem (CID 159052486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).