1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one

C14H22N4O — CID 115119844

IUPAC1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
SMILESCNCc1ccc2c(c1)CCC(=O)N2CC(N)CN
InChIInChI=1S/C14H22N4O/c1-17-8-10-2-4-13-11(6-10)3-5-14(19)18(13)9-12(16)7-15/h2,4,6,12,17H,3,5,7-9,15-16H2,1H3
InChIKeyITNWCPBXPCXWKF-UHFFFAOYSA-N
MW262.36 g/mol
LogP-0.03
Rot. Bonds5

About 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one

1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one (PubChem CID 115119844) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
PubChem CID115119844
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
SMILESCNCc1ccc2c(c1)CCC(=O)N2CC(N)CN
InChIInChI=1S/C14H22N4O/c1-17-8-10-2-4-13-11(6-10)3-5-14(19)18(13)9-12(16)7-15/h2,4,6,12,17H,3,5,7-9,15-16H2,1H3
InChIKeyITNWCPBXPCXWKF-UHFFFAOYSA-N
XLogP-0.03
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 117039999
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one
CID 115251457
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974
2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
CID 115253922
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115197456
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115222243
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
6-(aminomethyl)-1-(sulfanylmethyl)-3,4-dihydroquinolin-2-one
CID 115227916

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one (CID 115119844) is 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one is CNCc1ccc2c(c1)CCC(=O)N2CC(N)CN.
What is the InChIKey of 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is ITNWCPBXPCXWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-8-10-2-4-13-11(6-10)3-5-14(19)18(13)9-12(16)7-15/h2,4,6,12,17H,3,5,7-9,15-16H2,1H3.
What are the key properties of 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one?
1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 262.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115119844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).