[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone

C18H24N4O2 — CID 97391280

IUPAC[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone
SMILESCc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)c1ccoc1)C2
InChIInChI=1S/C18H24N4O2/c1-14-4-5-15-12-22(18(23)16-6-11-24-13-16)10-9-21(17(15)19-14)8-7-20(2)3/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyXMSXDKIODPUMOR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.01
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone

[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone (PubChem CID 97391280) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone
PubChem CID97391280
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone
SMILESCc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)c1ccoc1)C2
InChIInChI=1S/C18H24N4O2/c1-14-4-5-15-12-22(18(23)16-6-11-24-13-16)10-9-21(17(15)19-14)8-7-20(2)3/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyXMSXDKIODPUMOR-UHFFFAOYSA-N
XLogP2.01
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone (CID 97391280) is [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone is Cc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)c1ccoc1)C2.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone?
The InChIKey is XMSXDKIODPUMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-4-5-15-12-22(18(23)16-6-11-24-13-16)10-9-21(17(15)19-14)8-7-20(2)3/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone?
[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97391280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).