2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide

C20H16N4O3 — CID 110206722

IUPAC2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide
SMILESO=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H16N4O3/c25-17(22-15-9-3-5-12-6-4-10-21-18(12)15)11-16-20(27)23-14-8-2-1-7-13(14)19(26)24-16/h1-10,16H,11H2,(H,22,25)(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyDRESOCNTLMLYAT-MRXNPFEDSA-N
MW360.37 g/mol
LogP2.31
Rot. Bonds3

About 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide

2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide (PubChem CID 110206722) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide
PubChem CID110206722
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide
SMILESO=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H16N4O3/c25-17(22-15-9-3-5-12-6-4-10-21-18(12)15)11-16-20(27)23-14-8-2-1-7-13(14)19(26)24-16/h1-10,16H,11H2,(H,22,25)(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyDRESOCNTLMLYAT-MRXNPFEDSA-N
XLogP2.31
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide (CID 110206722) is 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide is O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide?
The InChIKey is DRESOCNTLMLYAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-17(22-15-9-3-5-12-6-4-10-21-18(12)15)11-16-20(27)23-14-8-2-1-7-13(14)19(26)24-16/h1-10,16H,11H2,(H,22,25)(H,23,27)(H,24,26)/t16-/m1/s1.
What are the key properties of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide?
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide has a molecular weight of 360.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 110206722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).