(6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one

C20H21N7O2 — CID 71468826

IUPAC(6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
SMILESCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c(=O)n(C)cnc13)C2=O
InChIInChI=1S/C20H21N7O2/c1-21-20-22-9-14-17(24-20)26-8-4-5-12(26)10-27(19(14)29)15-7-3-6-13-16(15)23-11-25(2)18(13)28/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,21,22,24)/t12-/m0/s1
InChIKeySAABWDLBBDBGBV-LBPRGKRZSA-N
MW391.44 g/mol
LogP1.39
Rot. Bonds2

About (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one

(6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one (PubChem CID 71468826) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one.

Molecular Properties

Compound Name(6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
PubChem CID71468826
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name(6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
SMILESCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c(=O)n(C)cnc13)C2=O
InChIInChI=1S/C20H21N7O2/c1-21-20-22-9-14-17(24-20)26-8-4-5-12(26)10-27(19(14)29)15-7-3-6-13-16(15)23-11-25(2)18(13)28/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,21,22,24)/t12-/m0/s1
InChIKeySAABWDLBBDBGBV-LBPRGKRZSA-N
XLogP1.39
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one?
The IUPAC name of (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one (CID 71468826) is (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one.
What is the SMILES notation for (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one?
The canonical SMILES for (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one is CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c(=O)n(C)cnc13)C2=O.
What is the InChIKey of (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one?
The InChIKey is SAABWDLBBDBGBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-21-20-22-9-14-17(24-20)26-8-4-5-12(26)10-27(19(14)29)15-7-3-6-13-16(15)23-11-25(2)18(13)28/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,21,22,24)/t12-/m0/s1.
What are the key properties of (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one?
(6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one has a molecular weight of 391.44 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-13-(methylamino)-8-(3-methyl-4-oxoquinazolin-8-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one is sourced from PubChem (CID 71468826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).