2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine

C24H28ClN5O3 — CID 11363389

IUPAC2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine
SMILESCOc1cnc2ncc(Cl)c(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C24H28ClN5O3/c1-31-18-11-19-23(20(25)14-29-24(19)28-13-18)30-6-3-16(4-7-30)2-5-26-12-17-10-21-22(15-27-17)33-9-8-32-21/h10-11,13-16,26H,2-9,12H2,1H3
InChIKeyGFYBXCHRXPMQHU-UHFFFAOYSA-N
MW469.97 g/mol
LogP3.85
Rot. Bonds7

About 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine

2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine (PubChem CID 11363389) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine
PubChem CID11363389
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine
SMILESCOc1cnc2ncc(Cl)c(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C24H28ClN5O3/c1-31-18-11-19-23(20(25)14-29-24(19)28-13-18)30-6-3-16(4-7-30)2-5-26-12-17-10-21-22(15-27-17)33-9-8-32-21/h10-11,13-16,26H,2-9,12H2,1H3
InChIKeyGFYBXCHRXPMQHU-UHFFFAOYSA-N
XLogP3.85
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine with MolForge

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 10187699
N-[2-(3-chlorophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967663
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049905
8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050068
8-(2-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055004
8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 155556571
N-[(2-chloro-4-pyridinyl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 44394704
N-(6-chloro-3-pyridinyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 44394745
N-[(6-chloro-3-pyridinyl)methyl]-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 44394760
N-(2-chloro-5-methoxypyridin-3-yl)-7-(3-morpholinopropoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
CID 44405551
1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
CID 10256826
N-[2-(4-chlorophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967705

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine?
The IUPAC name of 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine (CID 11363389) is 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine.
What is the SMILES notation for 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine?
The canonical SMILES for 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine is COc1cnc2ncc(Cl)c(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1.
What is the InChIKey of 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine?
The InChIKey is GFYBXCHRXPMQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-31-18-11-19-23(20(25)14-29-24(19)28-13-18)30-6-3-16(4-7-30)2-5-26-12-17-10-21-22(15-27-17)33-9-8-32-21/h10-11,13-16,26H,2-9,12H2,1H3.
What are the key properties of 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine?
2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine has a molecular weight of 469.97 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperidin-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine is sourced from PubChem (CID 11363389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).