(6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one

C19H18ClN3OS — CID 143487518

IUPAC(6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one
SMILESC=C/C(=c1\c(=C/C)sc2c(=O)n(-c3ccc(Cl)cc3)cnc12)N(C)C
InChIInChI=1S/C19H18ClN3OS/c1-5-14(22(3)4)16-15(6-2)25-18-17(16)21-11-23(19(18)24)13-9-7-12(20)8-10-13/h5-11H,1H2,2-4H3/b15-6+,16-14-
InChIKeyZTYGSZJDTKASOB-SFMIRQMXSA-N
MW371.89 g/mol
LogP2.76
Rot. Bonds3

About (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one

(6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one (PubChem CID 143487518) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one
PubChem CID143487518
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name(6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one
SMILESC=C/C(=c1\c(=C/C)sc2c(=O)n(-c3ccc(Cl)cc3)cnc12)N(C)C
InChIInChI=1S/C19H18ClN3OS/c1-5-14(22(3)4)16-15(6-2)25-18-17(16)21-11-23(19(18)24)13-9-7-12(20)8-10-13/h5-11H,1H2,2-4H3/b15-6+,16-14-
InChIKeyZTYGSZJDTKASOB-SFMIRQMXSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7E)-3-(4-bromophenyl)-7-[(Z)-1-(methylamino)but-2-enylidene]-6-methylidenethieno[3,2-d]pyrimidin-4-one
CID 71190976
13-amino-5-(4-chlorophenyl)-11-methyl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 46886138
5-(4-chlorophenyl)-13-(dimethylamino)-8-methyl-3,5,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one;ethane
CID 143488222
3-(4-chlorophenyl)-9-(dimethylamino)-5-methylpyrimido[5,4-b]indol-4-one
CID 70868984
12-bromo-5-(4-chlorophenyl)-13-[[(2S)-2-hydroxypropyl]amino]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one;ethane
CID 143431636
12-bromo-5-(3-bromo-4-hydroxyphenyl)-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 70331363
6-(4-chlorophenyl)-3-[6-[(dimethylamino)methyl]naphthalen-2-yl]thieno[3,2-d]pyrimidin-4-one
CID 58696521
6-(4-chlorophenyl)-3-[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
CID 58980805
13-amino-5-(4-methoxyphenyl)-8-thia-3,5-diaza-10-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 163556634
5-(4-methylphenyl)-13-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 11646239
5-(4-bromophenyl)-13-(prop-2-enylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 23634323
3-[4-[2-(4-chloro-N-methylanilino)ethoxy]-3-methoxyphenyl]-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 58980879

Frequently Asked Questions

What is the IUPAC name of (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one?
The IUPAC name of (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one (CID 143487518) is (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one is C=C/C(=c1\c(=C/C)sc2c(=O)n(-c3ccc(Cl)cc3)cnc12)N(C)C.
What is the InChIKey of (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZTYGSZJDTKASOB-SFMIRQMXSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-5-14(22(3)4)16-15(6-2)25-18-17(16)21-11-23(19(18)24)13-9-7-12(20)8-10-13/h5-11H,1H2,2-4H3/b15-6+,16-14-.
What are the key properties of (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one?
(6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one has a molecular weight of 371.89 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7E)-3-(4-chlorophenyl)-7-[1-(dimethylamino)prop-2-enylidene]-6-ethylidenethieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 143487518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).