2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile

C17H10N4O2 — CID 169263878

IUPAC2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)c1nc3ccc(CN)cc3c(=O)n1-2
InChIInChI=1S/C17H10N4O2/c18-7-9-1-3-13-11(5-9)17(23)21-14-4-2-10(8-19)6-12(14)15(22)16(21)20-13/h1-6H,7,18H2
InChIKeyCCTAKYZCURKXPL-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.26
Rot. Bonds1

About 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile

2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile (PubChem CID 169263878) has the molecular formula C17H10N4O2 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile
PubChem CID169263878
Molecular FormulaC17H10N4O2
Molecular Weight302.29 g/mol
Exact Mass302.08
IUPAC Name2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)c1nc3ccc(CN)cc3c(=O)n1-2
InChIInChI=1S/C17H10N4O2/c18-7-9-1-3-13-11(5-9)17(23)21-14-4-2-10(8-19)6-12(14)15(22)16(21)20-13/h1-6H,7,18H2
InChIKeyCCTAKYZCURKXPL-UHFFFAOYSA-N
XLogP1.26
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile?
The IUPAC name of 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile (CID 169263878) is 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile is N#Cc1ccc2c(c1)C(=O)c1nc3ccc(CN)cc3c(=O)n1-2.
What is the InChIKey of 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile?
The InChIKey is CCTAKYZCURKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O2/c18-7-9-1-3-13-11(5-9)17(23)21-14-4-2-10(8-19)6-12(14)15(22)16(21)20-13/h1-6H,7,18H2.
What are the key properties of 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile?
2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile has a molecular weight of 302.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile is sourced from PubChem (CID 169263878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).