2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride

C15H21ClN4O2 — CID 3087183

IUPAC2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride
SMILESCC1=Nc2cccnc2N(CCN2CCOCC2)C(=O)C1.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-12-11-14(20)19(6-5-18-7-9-21-10-8-18)15-13(17-12)3-2-4-16-15;/h2-4H,5-11H2,1H3;1H
InChIKeyJYSAGBFXNDPYEV-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.66
Rot. Bonds3

About 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride

2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride (PubChem CID 3087183) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride
PubChem CID3087183
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride
SMILESCC1=Nc2cccnc2N(CCN2CCOCC2)C(=O)C1.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-12-11-14(20)19(6-5-18-7-9-21-10-8-18)15-13(17-12)3-2-4-16-15;/h2-4H,5-11H2,1H3;1H
InChIKeyJYSAGBFXNDPYEV-UHFFFAOYSA-N
XLogP1.66
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride with MolForge

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Related Compounds

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CID 104059
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CID 2776573
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CID 572286
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CID 649725
CID 649725
CID 24688008
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CID 25162582
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CID 2941060
CID 2941060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride?
The IUPAC name of 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride (CID 3087183) is 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride.
What is the SMILES notation for 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride?
The canonical SMILES for 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride is CC1=Nc2cccnc2N(CCN2CCOCC2)C(=O)C1.Cl.
What is the InChIKey of 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride?
The InChIKey is JYSAGBFXNDPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-12-11-14(20)19(6-5-18-7-9-21-10-8-18)15-13(17-12)3-2-4-16-15;/h2-4H,5-11H2,1H3;1H.
What are the key properties of 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride?
2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-morpholin-4-ylethyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride is sourced from PubChem (CID 3087183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).