4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine

C16H13BrF2N4O — CID 168873863

IUPAC4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine
SMILESCOc1ccc2c(NCc3c(F)cc(Br)cc3F)c(N)cnc2n1
InChIInChI=1S/C16H13BrF2N4O/c1-24-14-3-2-9-15(13(20)7-22-16(9)23-14)21-6-10-11(18)4-8(17)5-12(10)19/h2-5,7H,6,20H2,1H3,(H,21,22,23)
InChIKeyOPJZNVZQGZMFTP-UHFFFAOYSA-N
MW395.21 g/mol
LogP3.87
Rot. Bonds4

About 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine

4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine (PubChem CID 168873863) has the molecular formula C16H13BrF2N4O and a molecular weight of 395.21 g/mol. Its IUPAC name is 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine
PubChem CID168873863
Molecular FormulaC16H13BrF2N4O
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC Name4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine
SMILESCOc1ccc2c(NCc3c(F)cc(Br)cc3F)c(N)cnc2n1
InChIInChI=1S/C16H13BrF2N4O/c1-24-14-3-2-9-15(13(20)7-22-16(9)23-14)21-6-10-11(18)4-8(17)5-12(10)19/h2-5,7H,6,20H2,1H3,(H,21,22,23)
InChIKeyOPJZNVZQGZMFTP-UHFFFAOYSA-N
XLogP3.87
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine?
The IUPAC name of 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine (CID 168873863) is 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine?
The canonical SMILES for 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine is COc1ccc2c(NCc3c(F)cc(Br)cc3F)c(N)cnc2n1.
What is the InChIKey of 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine?
The InChIKey is OPJZNVZQGZMFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N4O/c1-24-14-3-2-9-15(13(20)7-22-16(9)23-14)21-6-10-11(18)4-8(17)5-12(10)19/h2-5,7H,6,20H2,1H3,(H,21,22,23).
What are the key properties of 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine?
4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine has a molecular weight of 395.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine is sourced from PubChem (CID 168873863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).