3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine

C22H24Cl2N4O3 — CID 139395611

IUPAC3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine
SMILESCNc1cc2c(NCC3CCCO3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C22H24Cl2N4O3/c1-25-18-8-14-12(10-26-18)7-15(28-22(14)27-11-13-5-4-6-31-13)19-20(23)16(29-2)9-17(30-3)21(19)24/h7-10,13H,4-6,11H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyZUFXLJWCQCFRIA-UHFFFAOYSA-N
MW463.37 g/mol
LogP5.25
Rot. Bonds7

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine (PubChem CID 139395611) has the molecular formula C22H24Cl2N4O3 and a molecular weight of 463.37 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine
PubChem CID139395611
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine
SMILESCNc1cc2c(NCC3CCCO3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C22H24Cl2N4O3/c1-25-18-8-14-12(10-26-18)7-15(28-22(14)27-11-13-5-4-6-31-13)19-20(23)16(29-2)9-17(30-3)21(19)24/h7-10,13H,4-6,11H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyZUFXLJWCQCFRIA-UHFFFAOYSA-N
XLogP5.25
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.37
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[[(3S)-1-methylpyrrolidin-3-yl]amino]methyl]-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine
CID 139395946
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane
CID 142381446
N-[(3S,4R)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)-2,6-naphthyridin-3-yl]amino]-1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]prop-2-enamide
CID 135180481
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-(oxan-3-yl)-1-N-(oxetan-3-yl)-2,6-naphthyridine-1,7-diamine
CID 139395977
1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine
CID 142380892
N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 142381492
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N-[(1-methylpyrazol-4-yl)methyl]-7-N-[(3S)-oxan-3-yl]-2,6-naphthyridine-1,7-diamine
CID 135180783
1-N-(cyclopentylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-(ethenylamino)-6-methylphenyl]-2,6-naphthyridine-1,7-diamine
CID 167095624
6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylsulfanyl-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-amine
CID 139385526
1-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 158436797
3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine
CID 139395509
N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-hydroxyethylamino)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385290

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine (CID 139395611) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine is CNc1cc2c(NCC3CCCO3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.
What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine?
The InChIKey is ZUFXLJWCQCFRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3/c1-25-18-8-14-12(10-26-18)7-15(28-22(14)27-11-13-5-4-6-31-13)19-20(23)16(29-2)9-17(30-3)21(19)24/h7-10,13H,4-6,11H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine?
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine has a molecular weight of 463.37 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 139395611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).