1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline

C13H15N3 — CID 103965043

IUPAC1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
SMILESCN1CCCNc2cnc3ccccc3c21
InChIInChI=1S/C13H15N3/c1-16-8-4-7-14-12-9-15-11-6-3-2-5-10(11)13(12)16/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKeyTZCYIFGIKGGSKR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.49
Rot. Bonds

About 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline

1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline (PubChem CID 103965043) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline.

Molecular Properties

Compound Name1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
PubChem CID103965043
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
SMILESCN1CCCNc2cnc3ccccc3c21
InChIInChI=1S/C13H15N3/c1-16-8-4-7-14-12-9-15-11-6-3-2-5-10(11)13(12)16/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKeyTZCYIFGIKGGSKR-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 113359527
1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
CID 103964938
2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 103964912
2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
CID 177435311
3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965076
4-(azocan-1-yl)quinoline-3-carbothioamide
CID 43669619
4-(azepan-1-yl)quinoline-3-carbothioamide
CID 43669568
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one
CID 103964971
2-methyl-2-phenyl-3,4-dihydro-1H-pyrazino[2,3-c]quinoline
CID 103965038
1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol
CID 107403747
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The IUPAC name of 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline (CID 103965043) is 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline.
What is the SMILES notation for 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The canonical SMILES for 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline is CN1CCCNc2cnc3ccccc3c21.
What is the InChIKey of 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The InChIKey is TZCYIFGIKGGSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-8-4-7-14-12-9-15-11-6-3-2-5-10(11)13(12)16/h2-3,5-6,9,14H,4,7-8H2,1H3.
What are the key properties of 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline has a molecular weight of 213.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline is sourced from PubChem (CID 103965043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).