7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine

C18H20N4O — CID 12035337

IUPAC7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine
SMILESCc1cc(OCCCNc2ccccc2)nc2nc(N)ccc12
InChIInChI=1S/C18H20N4O/c1-13-12-17(22-18-15(13)8-9-16(19)21-18)23-11-5-10-20-14-6-3-2-4-7-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H2,19,21,22)
InChIKeyNBCZLDHVKDRTDH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.40
Rot. Bonds6

About 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine

7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine (PubChem CID 12035337) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Name7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine
PubChem CID12035337
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine
SMILESCc1cc(OCCCNc2ccccc2)nc2nc(N)ccc12
InChIInChI=1S/C18H20N4O/c1-13-12-17(22-18-15(13)8-9-16(19)21-18)23-11-5-10-20-14-6-3-2-4-7-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H2,19,21,22)
InChIKeyNBCZLDHVKDRTDH-UHFFFAOYSA-N
XLogP3.40
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-5-methyl-1,8-naphthyridin-2-amine
CID 14751713
7-methoxy-5-phenyl-1,8-naphthyridin-2-amine
CID 10777137
dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine
CID 70611232
N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
N-[3-(2-bromo-4-methylphenoxy)propyl]aniline
CID 63516517
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
N-(4-methoxybutyl)aniline
CID 13042774
N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56586633
N-(3-quinolin-7-yloxypropyl)aniline
CID 107315213
N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
CID 63214405
3-fluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]aniline
CID 63515360

Frequently Asked Questions

What is the IUPAC name of 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine?
The IUPAC name of 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine (CID 12035337) is 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine.
What is the SMILES notation for 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine?
The canonical SMILES for 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine is Cc1cc(OCCCNc2ccccc2)nc2nc(N)ccc12.
What is the InChIKey of 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine?
The InChIKey is NBCZLDHVKDRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-12-17(22-18-15(13)8-9-16(19)21-18)23-11-5-10-20-14-6-3-2-4-7-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H2,19,21,22).
What are the key properties of 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine?
7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine has a molecular weight of 308.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-anilinopropoxy)-5-methyl-1,8-naphthyridin-2-amine is sourced from PubChem (CID 12035337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).