1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one

C14H20N2O — CID 138719357

IUPAC1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one
SMILESCC(C)C1=CCNC2=C1N(C1CC1)C(=O)CC2
InChIInChI=1S/C14H20N2O/c1-9(2)11-7-8-15-12-5-6-13(17)16(14(11)12)10-3-4-10/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyKPTHJQJMKQRLAY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.17
Rot. Bonds2

About 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one

1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one (PubChem CID 138719357) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one
PubChem CID138719357
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one
SMILESCC(C)C1=CCNC2=C1N(C1CC1)C(=O)CC2
InChIInChI=1S/C14H20N2O/c1-9(2)11-7-8-15-12-5-6-13(17)16(14(11)12)10-3-4-10/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyKPTHJQJMKQRLAY-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one?
The IUPAC name of 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one (CID 138719357) is 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one is CC(C)C1=CCNC2=C1N(C1CC1)C(=O)CC2.
What is the InChIKey of 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one?
The InChIKey is KPTHJQJMKQRLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)11-7-8-15-12-5-6-13(17)16(14(11)12)10-3-4-10/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one?
1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-propan-2-yl-3,4,5,6-tetrahydro-1,5-naphthyridin-2-one is sourced from PubChem (CID 138719357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).