6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

C14H13Cl2N3OS — CID 107961289

IUPAC6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(N)c3cc(Cl)sc3Cl)ccc2NC1=O
InChIInChI=1S/C14H13Cl2N3OS/c1-19-6-8-4-7(2-3-10(8)18-14(19)20)12(17)9-5-11(15)21-13(9)16/h2-5,12H,6,17H2,1H3,(H,18,20)
InChIKeyBFLWCINMNINASW-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.08
Rot. Bonds2

About 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 107961289) has the molecular formula C14H13Cl2N3OS and a molecular weight of 342.25 g/mol. Its IUPAC name is 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID107961289
Molecular FormulaC14H13Cl2N3OS
Molecular Weight342.25 g/mol
Exact Mass341.02
IUPAC Name6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(N)c3cc(Cl)sc3Cl)ccc2NC1=O
InChIInChI=1S/C14H13Cl2N3OS/c1-19-6-8-4-7(2-3-10(8)18-14(19)20)12(17)9-5-11(15)21-13(9)16/h2-5,12H,6,17H2,1H3,(H,18,20)
InChIKeyBFLWCINMNINASW-UHFFFAOYSA-N
XLogP4.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[amino-(5-bromothiophen-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009898
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010395
6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010181
3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
CID 155179364
6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 106689209
(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107960594
6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009732
5-amino-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanamide
CID 82010210
6-[chloro-(2-iodophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010538
6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009563

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 107961289) is 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(N)c3cc(Cl)sc3Cl)ccc2NC1=O.
What is the InChIKey of 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is BFLWCINMNINASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3OS/c1-19-6-8-4-7(2-3-10(8)18-14(19)20)12(17)9-5-11(15)21-13(9)16/h2-5,12H,6,17H2,1H3,(H,18,20).
What are the key properties of 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 342.25 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 107961289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).