6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane

C12H13Cl2N3O — CID 143682125

IUPAC6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane
SMILESCC.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
InChIInChI=1S/C10H7Cl2N3O.C2H6/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;1-2/h1-2H,3-4H2,(H,13,14,16);1-2H3
InChIKeyBTVILNSFBPNNND-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.95
Rot. Bonds

About 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane

6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane (PubChem CID 143682125) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane.

Molecular Properties

Compound Name6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane
PubChem CID143682125
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane
SMILESCC.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
InChIInChI=1S/C10H7Cl2N3O.C2H6/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;1-2/h1-2H,3-4H2,(H,13,14,16);1-2H3
InChIKeyBTVILNSFBPNNND-UHFFFAOYSA-N
XLogP2.95
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane?
The IUPAC name of 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane (CID 143682125) is 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane.
What is the SMILES notation for 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane?
The canonical SMILES for 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane is CC.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1.
What is the InChIKey of 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane?
The InChIKey is BTVILNSFBPNNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O.C2H6/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;1-2/h1-2H,3-4H2,(H,13,14,16);1-2H3.
What are the key properties of 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane?
6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane has a molecular weight of 286.16 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;ethane is sourced from PubChem (CID 143682125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).