7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine

C19H22N4O2S2 — CID 144622976

IUPAC7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine
SMILESCc1cc(N=S(C)C)cc2ncnc(Nc3ccsc3O[C@@H]3CCOC3)c12
InChIInChI=1S/C19H22N4O2S2/c1-12-8-13(23-27(2)3)9-16-17(12)18(21-11-20-16)22-15-5-7-26-19(15)25-14-4-6-24-10-14/h5,7-9,11,14H,4,6,10H2,1-3H3,(H,20,21,22)/t14-/m1/s1
InChIKeyCMLALBJYAQWQCZ-CQSZACIVSA-N
MW402.55 g/mol
LogP4.60
Rot. Bonds5

About 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine

7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine (PubChem CID 144622976) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine
PubChem CID144622976
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine
SMILESCc1cc(N=S(C)C)cc2ncnc(Nc3ccsc3O[C@@H]3CCOC3)c12
InChIInChI=1S/C19H22N4O2S2/c1-12-8-13(23-27(2)3)9-16-17(12)18(21-11-20-16)22-15-5-7-26-19(15)25-14-4-6-24-10-14/h5,7-9,11,14H,4,6,10H2,1-3H3,(H,20,21,22)/t14-/m1/s1
InChIKeyCMLALBJYAQWQCZ-CQSZACIVSA-N
XLogP4.60
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine with MolForge

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Related Compounds

7-[(dimethyl-λ4-sulfanylidene)amino]-N-[4-fluoro-2-(oxetan-3-yloxy)phenyl]-5-methylquinazolin-4-amine
CID 129117178
N-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-5-methyl-7-[(1-oxothiolan-1-ylidene)amino]quinazolin-4-amine
CID 90140541
7-[(tert-butyl-methyl-oxo-λ6-sulfanylidene)amino]-N-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-5-methylquinazolin-4-amine
CID 90140698
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-5-methyl-7-(methylideneamino)quinazolin-4-amine;formaldehyde;pentane
CID 144854884
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine
CID 90140607
5,7-dimethyl-N-[2-(oxan-4-yloxy)-3-pyridinyl]quinazolin-4-amine
CID 123801543
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-5-methoxyquinazolin-4-amine
CID 90140639
7-N-(tert-butyl-methylidene-oxo-λ6-sulfanyl)-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-5-methylquinazoline-4,7-diamine
CID 123438691
5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine
CID 129116287
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 24765447
(6R)-6-[2-[[7-[(dimethyl-λ4-sulfanylidene)amino]-5-fluoroquinazolin-4-yl]amino]-5-fluorophenoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 129116256
N-(2-cyclopropyloxy-4-fluorophenyl)-7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-amine
CID 90140563

Frequently Asked Questions

What is the IUPAC name of 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine?
The IUPAC name of 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine (CID 144622976) is 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine.
What is the SMILES notation for 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine?
The canonical SMILES for 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine is Cc1cc(N=S(C)C)cc2ncnc(Nc3ccsc3O[C@@H]3CCOC3)c12.
What is the InChIKey of 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine?
The InChIKey is CMLALBJYAQWQCZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-12-8-13(23-27(2)3)9-16-17(12)18(21-11-20-16)22-15-5-7-26-19(15)25-14-4-6-24-10-14/h5,7-9,11,14H,4,6,10H2,1-3H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine?
7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine has a molecular weight of 402.55 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethyl-λ4-sulfanylidene)amino]-5-methyl-N-[2-[(3R)-oxolan-3-yl]oxythiophen-3-yl]quinazolin-4-amine is sourced from PubChem (CID 144622976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).