3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane

C27H35Cl2N3O3 — CID 142381022

IUPAC3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane
SMILESC1CCOC1.CC=C(C)C.CNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(C)cc12
InChIInChI=1S/C18H17Cl2N3O2.C5H10.C4H8O/c1-9-5-11-10(8-22-9)6-12(23-18(11)21-2)15-16(19)13(24-3)7-14(25-4)17(15)20;1-4-5(2)3;1-2-4-5-3-1/h5-8H,1-4H3,(H,21,23);4H,1-3H3;1-4H2
InChIKeyHDWYOUHLXVRKJD-UHFFFAOYSA-N
MW520.50 g/mol
LogP7.74
Rot. Bonds4

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane

3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane (PubChem CID 142381022) has the molecular formula C27H35Cl2N3O3 and a molecular weight of 520.50 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane.

Molecular Properties

Compound Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane
PubChem CID142381022
Molecular FormulaC27H35Cl2N3O3
Molecular Weight520.50 g/mol
Exact Mass519.21
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane
SMILESC1CCOC1.CC=C(C)C.CNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(C)cc12
InChIInChI=1S/C18H17Cl2N3O2.C5H10.C4H8O/c1-9-5-11-10(8-22-9)6-12(23-18(11)21-2)15-16(19)13(24-3)7-14(25-4)17(15)20;1-4-5(2)3;1-2-4-5-3-1/h5-8H,1-4H3,(H,21,23);4H,1-3H3;1-4H2
InChIKeyHDWYOUHLXVRKJD-UHFFFAOYSA-N
XLogP7.74
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.50
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine
CID 135180642
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,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane
CID 142381446
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethyl-2-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine;oxolane
CID 142381362
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
CID 142381099
3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane
CID 142381395
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-[(3S,4R)-4-methyloxolan-3-yl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 157302741
3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
CID 135180259
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine
CID 139395611
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
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180770

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane?
The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane (CID 142381022) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane.
What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane?
The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane is C1CCOC1.CC=C(C)C.CNc1nc(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(C)cc12.
What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane?
The InChIKey is HDWYOUHLXVRKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2.C5H10.C4H8O/c1-9-5-11-10(8-22-9)6-12(23-18(11)21-2)15-16(19)13(24-3)7-14(25-4)17(15)20;1-4-5(2)3;1-2-4-5-3-1/h5-8H,1-4H3,(H,21,23);4H,1-3H3;1-4H2.
What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane?
3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane has a molecular weight of 520.50 g/mol, XLogP of 7.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane is sourced from PubChem (CID 142381022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).