7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine

C21H22ClN3O3 — CID 135181145

IUPAC7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)cc3c(OCC3CC3)n2)c1C
InChIInChI=1S/C21H22ClN3O3/c1-11-16(26-2)8-17(27-3)20(22)19(11)15-6-13-9-24-18(23)7-14(13)21(25-15)28-10-12-4-5-12/h6-9,12H,4-5,10H2,1-3H3,(H2,23,24)
InChIKeyAPSSHGWLFDMJJB-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.65
Rot. Bonds6

About 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine

7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine (PubChem CID 135181145) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine
PubChem CID135181145
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)cc3c(OCC3CC3)n2)c1C
InChIInChI=1S/C21H22ClN3O3/c1-11-16(26-2)8-17(27-3)20(22)19(11)15-6-13-9-24-18(23)7-14(13)21(25-15)28-10-12-4-5-12/h6-9,12H,4-5,10H2,1-3H3,(H2,23,24)
InChIKeyAPSSHGWLFDMJJB-UHFFFAOYSA-N
XLogP4.65
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine?
The IUPAC name of 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine (CID 135181145) is 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine.
What is the SMILES notation for 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine?
The canonical SMILES for 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(N)cc3c(OCC3CC3)n2)c1C.
What is the InChIKey of 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine?
The InChIKey is APSSHGWLFDMJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-11-16(26-2)8-17(27-3)20(22)19(11)15-6-13-9-24-18(23)7-14(13)21(25-15)28-10-12-4-5-12/h6-9,12H,4-5,10H2,1-3H3,(H2,23,24).
What are the key properties of 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine?
7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine has a molecular weight of 399.88 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 135181145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).