2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide

C17H23N3O3 — CID 86749995

IUPAC2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide
SMILESCc1cc2c(c3c1NC(=O)CC3)OC(CNC(=O)C(C)(C)N)C2
InChIInChI=1S/C17H23N3O3/c1-9-6-10-7-11(8-19-16(22)17(2,3)18)23-15(10)12-4-5-13(21)20-14(9)12/h6,11H,4-5,7-8,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyQFRNVCFVKQUIHM-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide

2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide (PubChem CID 86749995) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide
PubChem CID86749995
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide
SMILESCc1cc2c(c3c1NC(=O)CC3)OC(CNC(=O)C(C)(C)N)C2
InChIInChI=1S/C17H23N3O3/c1-9-6-10-7-11(8-19-16(22)17(2,3)18)23-15(10)12-4-5-13(21)20-14(9)12/h6,11H,4-5,7-8,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyQFRNVCFVKQUIHM-UHFFFAOYSA-N
XLogP1.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide (CID 86749995) is 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide is Cc1cc2c(c3c1NC(=O)CC3)OC(CNC(=O)C(C)(C)N)C2.
What is the InChIKey of 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide?
The InChIKey is QFRNVCFVKQUIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-9-6-10-7-11(8-19-16(22)17(2,3)18)23-15(10)12-4-5-13(21)20-14(9)12/h6,11H,4-5,7-8,18H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide?
2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(5-methyl-7-oxo-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-2-yl)methyl]propanamide is sourced from PubChem (CID 86749995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).