3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine

C24H30ClN5O3 — CID 135179992

IUPAC3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CCOC4)cc3c(NCCN(C)C)n2)c1
InChIInChI=1S/C24H30ClN5O3/c1-30(2)7-6-26-24-18-12-22(28-16-5-8-33-14-16)27-13-15(18)9-20(29-24)19-10-17(31-3)11-21(32-4)23(19)25/h9-13,16H,5-8,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyBDNPOKDUDARIPH-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.14
Rot. Bonds9

About 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine

3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine (PubChem CID 135179992) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine
PubChem CID135179992
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CCOC4)cc3c(NCCN(C)C)n2)c1
InChIInChI=1S/C24H30ClN5O3/c1-30(2)7-6-26-24-18-12-22(28-16-5-8-33-14-16)27-13-15(18)9-20(29-24)19-10-17(31-3)11-21(32-4)23(19)25/h9-13,16H,5-8,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyBDNPOKDUDARIPH-UHFFFAOYSA-N
XLogP4.14
TPSA80.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 91885617
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CID 142754791
CID 142754791
CID 177374701
CID 177374701
CID 177374702
CID 177374702
CID 177374703
CID 177374703
CID 177374704
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CID 177374706
CID 177374706
CID 177649568
CID 177649568
CID 177657953
CID 177657953

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine (CID 135179992) is 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine is COc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CCOC4)cc3c(NCCN(C)C)n2)c1.
What is the InChIKey of 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine?
The InChIKey is BDNPOKDUDARIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-30(2)7-6-26-24-18-12-22(28-16-5-8-33-14-16)27-13-15(18)9-20(29-24)19-10-17(31-3)11-21(32-4)23(19)25/h9-13,16H,5-8,14H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine?
3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine has a molecular weight of 471.99 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 135179992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).