1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide

C17H9Cl2N3O3 — CID 169263934

IUPAC1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2
InChIInChI=1S/C17H9Cl2N3O3/c1-20-16(24)7-2-3-12-9(4-7)14(23)15-21-11-6-8(18)5-10(19)13(11)17(25)22(12)15/h2-6H,1H3,(H,20,24)
InChIKeyIVBVHZLBOSJDGL-UHFFFAOYSA-N
MW374.18 g/mol
LogP2.60
Rot. Bonds1

About 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide

1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide (PubChem CID 169263934) has the molecular formula C17H9Cl2N3O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide.

Molecular Properties

Compound Name1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide
PubChem CID169263934
Molecular FormulaC17H9Cl2N3O3
Molecular Weight374.18 g/mol
Exact Mass373.00
IUPAC Name1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2
InChIInChI=1S/C17H9Cl2N3O3/c1-20-16(24)7-2-3-12-9(4-7)14(23)15-21-11-6-8(18)5-10(19)13(11)17(25)22(12)15/h2-6H,1H3,(H,20,24)
InChIKeyIVBVHZLBOSJDGL-UHFFFAOYSA-N
XLogP2.60
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide?
The IUPAC name of 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide (CID 169263934) is 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide.
What is the SMILES notation for 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide?
The canonical SMILES for 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide is CNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2.
What is the InChIKey of 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide?
The InChIKey is IVBVHZLBOSJDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O3/c1-20-16(24)7-2-3-12-9(4-7)14(23)15-21-11-6-8(18)5-10(19)13(11)17(25)22(12)15/h2-6H,1H3,(H,20,24).
What are the key properties of 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide?
1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide has a molecular weight of 374.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-N-methyl-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxamide is sourced from PubChem (CID 169263934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).