10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid

C17H22N4O2 — CID 67384235

IUPAC10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid
SMILESCN(C)CCNc1c2c(nc3ccccc13)CCN(C(=O)O)C2
InChIInChI=1S/C17H22N4O2/c1-20(2)10-8-18-16-12-5-3-4-6-14(12)19-15-7-9-21(17(22)23)11-13(15)16/h3-6H,7-11H2,1-2H3,(H,18,19)(H,22,23)
InChIKeyWDDNZFLSXCPGSX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.24
Rot. Bonds4

About 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid

10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid (PubChem CID 67384235) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid
PubChem CID67384235
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid
SMILESCN(C)CCNc1c2c(nc3ccccc13)CCN(C(=O)O)C2
InChIInChI=1S/C17H22N4O2/c1-20(2)10-8-18-16-12-5-3-4-6-14(12)19-15-7-9-21(17(22)23)11-13(15)16/h3-6H,7-11H2,1-2H3,(H,18,19)(H,22,23)
InChIKeyWDDNZFLSXCPGSX-UHFFFAOYSA-N
XLogP2.24
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
9-[2-(dimethylamino)ethylamino]-1,2,3,4-tetrahydroacridin-1-ol
CID 3025609
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
CID 10959176
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)cyclopropanecarboxamide
CID 167755688
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one
CID 70686590
2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide
CID 160991735
4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 122185533
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813

Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid?
The IUPAC name of 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid (CID 67384235) is 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid.
What is the SMILES notation for 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid?
The canonical SMILES for 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid is CN(C)CCNc1c2c(nc3ccccc13)CCN(C(=O)O)C2.
What is the InChIKey of 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid?
The InChIKey is WDDNZFLSXCPGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(2)10-8-18-16-12-5-3-4-6-14(12)19-15-7-9-21(17(22)23)11-13(15)16/h3-6H,7-11H2,1-2H3,(H,18,19)(H,22,23).
What are the key properties of 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid?
10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 67384235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).