2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one

C16H18N2O2 — CID 67802028

IUPAC2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one
SMILESCc1cc2cc(CN)oc2c2cc(C(C)C)c(=O)[nH]c12
InChIInChI=1S/C16H18N2O2/c1-8(2)12-6-13-14(18-16(12)19)9(3)4-10-5-11(7-17)20-15(10)13/h4-6,8H,7,17H2,1-3H3,(H,18,19)
InChIKeyYZBWAHNZYNZRPQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.16
Rot. Bonds2

About 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one

2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one (PubChem CID 67802028) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one
PubChem CID67802028
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one
SMILESCc1cc2cc(CN)oc2c2cc(C(C)C)c(=O)[nH]c12
InChIInChI=1S/C16H18N2O2/c1-8(2)12-6-13-14(18-16(12)19)9(3)4-10-5-11(7-17)20-15(10)13/h4-6,8H,7,17H2,1-3H3,(H,18,19)
InChIKeyYZBWAHNZYNZRPQ-UHFFFAOYSA-N
XLogP3.16
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one?
The IUPAC name of 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one (CID 67802028) is 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one?
The canonical SMILES for 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one is Cc1cc2cc(CN)oc2c2cc(C(C)C)c(=O)[nH]c12.
What is the InChIKey of 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one?
The InChIKey is YZBWAHNZYNZRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-8(2)12-6-13-14(18-16(12)19)9(3)4-10-5-11(7-17)20-15(10)13/h4-6,8H,7,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one?
2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one has a molecular weight of 270.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-8-propan-2-yl-6H-furo[2,3-f]quinolin-7-one is sourced from PubChem (CID 67802028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).