11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one

C22H30N4O — CID 21438315

IUPAC11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCC(C)N(CCCN1c2ccccc2C(=O)N(C)c2cccnc21)C(C)C
InChIInChI=1S/C22H30N4O/c1-16(2)25(17(3)4)14-9-15-26-19-11-7-6-10-18(19)22(27)24(5)20-12-8-13-23-21(20)26/h6-8,10-13,16-17H,9,14-15H2,1-5H3
InChIKeyXVPFIBARQISXDS-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.32
Rot. Bonds6

About 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one

11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 21438315) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID21438315
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCC(C)N(CCCN1c2ccccc2C(=O)N(C)c2cccnc21)C(C)C
InChIInChI=1S/C22H30N4O/c1-16(2)25(17(3)4)14-9-15-26-19-11-7-6-10-18(19)22(27)24(5)20-12-8-13-23-21(20)26/h6-8,10-13,16-17H,9,14-15H2,1-5H3
InChIKeyXVPFIBARQISXDS-UHFFFAOYSA-N
XLogP4.32
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
CID 54288868
6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride
CID 21438325
2,9-bis(3-methoxypropyl)-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101397613
N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine
CID 15586667
11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one
CID 121444072
4-(5-methyl-6-oxobenzo[b][1,4]benzodiazepin-11-yl)butane-1-sulfonic acid
CID 18799331
11-[6-(4-methylpiperazin-1-yl)hexyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14552100
N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine
CID 110174393
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
2-ethyl-13-[2-(3-hydroxyphenyl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 15956323
3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine
CID 15586684
5-(5-acetyl-1H-pyrrol-3-yl)-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 15956289

Frequently Asked Questions

What is the IUPAC name of 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one (CID 21438315) is 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one is CC(C)N(CCCN1c2ccccc2C(=O)N(C)c2cccnc21)C(C)C.
What is the InChIKey of 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is XVPFIBARQISXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16(2)25(17(3)4)14-9-15-26-19-11-7-6-10-18(19)22(27)24(5)20-12-8-13-23-21(20)26/h6-8,10-13,16-17H,9,14-15H2,1-5H3.
What are the key properties of 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one?
11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 366.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 21438315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).