1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one

C17H24N4O — CID 70386828

IUPAC1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
SMILESCCCNN1CC2=C(c3cccnc31)C(C(C)C)NC(=O)C2
InChIInChI=1S/C17H24N4O/c1-4-7-19-21-10-12-9-14(22)20-16(11(2)3)15(12)13-6-5-8-18-17(13)21/h5-6,8,11,16,19H,4,7,9-10H2,1-3H3,(H,20,22)
InChIKeyFITBHRWDYMPECW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.11
Rot. Bonds4

About 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one

1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one (PubChem CID 70386828) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one.

Molecular Properties

Compound Name1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
PubChem CID70386828
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
SMILESCCCNN1CC2=C(c3cccnc31)C(C(C)C)NC(=O)C2
InChIInChI=1S/C17H24N4O/c1-4-7-19-21-10-12-9-14(22)20-16(11(2)3)15(12)13-6-5-8-18-17(13)21/h5-6,8,11,16,19H,4,7,9-10H2,1-3H3,(H,20,22)
InChIKeyFITBHRWDYMPECW-UHFFFAOYSA-N
XLogP2.11
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The IUPAC name of 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one (CID 70386828) is 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one.
What is the SMILES notation for 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The canonical SMILES for 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one is CCCNN1CC2=C(c3cccnc31)C(C(C)C)NC(=O)C2.
What is the InChIKey of 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The InChIKey is FITBHRWDYMPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-7-19-21-10-12-9-14(22)20-16(11(2)3)15(12)13-6-5-8-18-17(13)21/h5-6,8,11,16,19H,4,7,9-10H2,1-3H3,(H,20,22).
What are the key properties of 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one has a molecular weight of 300.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one is sourced from PubChem (CID 70386828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).