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

C18H29N5O2 — CID 97391284

IUPAC[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C18H29N5O2/c1-15-4-5-16-14-23(18(24)22-10-12-25-13-11-22)9-8-21(17(16)19-15)7-6-20(2)3/h4-5H,6-14H2,1-3H3
InChIKeyHGFUQVHFZLCDAA-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.03
Rot. Bonds3

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

[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone (PubChem CID 97391284) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 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]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone
PubChem CID97391284
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C18H29N5O2/c1-15-4-5-16-14-23(18(24)22-10-12-25-13-11-22)9-8-21(17(16)19-15)7-6-20(2)3/h4-5H,6-14H2,1-3H3
InChIKeyHGFUQVHFZLCDAA-UHFFFAOYSA-N
XLogP1.03
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.03
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]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone (CID 97391284) is [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone.
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]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone is Cc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)N1CCOCC1)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]-morpholin-4-ylmethanone?
The InChIKey is HGFUQVHFZLCDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-15-4-5-16-14-23(18(24)22-10-12-25-13-11-22)9-8-21(17(16)19-15)7-6-20(2)3/h4-5H,6-14H2,1-3H3.
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]-morpholin-4-ylmethanone?
[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 1.03, 3 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 97391284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).