2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile

C19H20N4O2 — CID 135333817

IUPAC2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile
SMILESCOc1ccc2c(C#N)cc(C(N)CC(C)C)nc2c1-c1cnco1
InChIInChI=1S/C19H20N4O2/c1-11(2)6-14(21)15-7-12(8-20)13-4-5-16(24-3)18(19(13)23-15)17-9-22-10-25-17/h4-5,7,9-11,14H,6,21H2,1-3H3
InChIKeyDCNYPWCJZKQTGW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.82
Rot. Bonds5

About 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile

2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile (PubChem CID 135333817) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile
PubChem CID135333817
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile
SMILESCOc1ccc2c(C#N)cc(C(N)CC(C)C)nc2c1-c1cnco1
InChIInChI=1S/C19H20N4O2/c1-11(2)6-14(21)15-7-12(8-20)13-4-5-16(24-3)18(19(13)23-15)17-9-22-10-25-17/h4-5,7,9-11,14H,6,21H2,1-3H3
InChIKeyDCNYPWCJZKQTGW-UHFFFAOYSA-N
XLogP3.82
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile (CID 135333817) is 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile is COc1ccc2c(C#N)cc(C(N)CC(C)C)nc2c1-c1cnco1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile?
The InChIKey is DCNYPWCJZKQTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11(2)6-14(21)15-7-12(8-20)13-4-5-16(24-3)18(19(13)23-15)17-9-22-10-25-17/h4-5,7,9-11,14H,6,21H2,1-3H3.
What are the key properties of 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile?
2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-7-methoxy-8-(1,3-oxazol-5-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 135333817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).