1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one

C30H39N3O2 — CID 20604357

IUPAC1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one
SMILESCC1(C)C2CC[C@@](C)(C2)[C@@H]1C1NC=Cc2c1c(=O)cc(-c1ccccc1)n2CCN1CCOCC1
InChIInChI=1S/C30H39N3O2/c1-29(2)22-9-11-30(3,20-22)28(29)27-26-23(10-12-31-27)33(14-13-32-15-17-35-18-16-32)24(19-25(26)34)21-7-5-4-6-8-21/h4-8,10,12,19,22,27-28,31H,9,11,13-18,20H2,1-3H3/t22?,27?,28-,30+/m1/s1
InChIKeyNDABZORGBAJSKZ-ILBGSUSBSA-N
MW473.66 g/mol
LogP4.92
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one

1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one (PubChem CID 20604357) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one
PubChem CID20604357
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC Name1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one
SMILESCC1(C)C2CC[C@@](C)(C2)[C@@H]1C1NC=Cc2c1c(=O)cc(-c1ccccc1)n2CCN1CCOCC1
InChIInChI=1S/C30H39N3O2/c1-29(2)22-9-11-30(3,20-22)28(29)27-26-23(10-12-31-27)33(14-13-32-15-17-35-18-16-32)24(19-25(26)34)21-7-5-4-6-8-21/h4-8,10,12,19,22,27-28,31H,9,11,13-18,20H2,1-3H3/t22?,27?,28-,30+/m1/s1
InChIKeyNDABZORGBAJSKZ-ILBGSUSBSA-N
XLogP4.92
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one (CID 20604357) is 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one is CC1(C)C2CC[C@@](C)(C2)[C@@H]1C1NC=Cc2c1c(=O)cc(-c1ccccc1)n2CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one?
The InChIKey is NDABZORGBAJSKZ-ILBGSUSBSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-29(2)22-9-11-30(3,20-22)28(29)27-26-23(10-12-31-27)33(14-13-32-15-17-35-18-16-32)24(19-25(26)34)21-7-5-4-6-8-21/h4-8,10,12,19,22,27-28,31H,9,11,13-18,20H2,1-3H3/t22?,27?,28-,30+/m1/s1.
What are the key properties of 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one?
1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one has a molecular weight of 473.66 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one is sourced from PubChem (CID 20604357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).