6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine

C32H32N2O2 — CID 174794411

IUPAC6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine
SMILESCOC(OC)c1cccc2c1c(C1CC1)cc1c3c(ccc12)CCCC3.c1cnc2ncccc2c1
InChIInChI=1S/C24H26O2.C8H6N2/c1-25-24(26-2)20-9-5-8-19-18-13-12-15-6-3-4-7-17(15)22(18)14-21(23(19)20)16-10-11-16;1-3-7-4-2-6-10-8(7)9-5-1/h5,8-9,12-14,16,24H,3-4,6-7,10-11H2,1-2H3;1-6H
InChIKeySSXOHSJKJVNQNF-UHFFFAOYSA-N
MW476.62 g/mol
LogP7.67
Rot. Bonds4

About 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine

6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine (PubChem CID 174794411) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine.

Molecular Properties

Compound Name6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine
PubChem CID174794411
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine
SMILESCOC(OC)c1cccc2c1c(C1CC1)cc1c3c(ccc12)CCCC3.c1cnc2ncccc2c1
InChIInChI=1S/C24H26O2.C8H6N2/c1-25-24(26-2)20-9-5-8-19-18-13-12-15-6-3-4-7-17(15)22(18)14-21(23(19)20)16-10-11-16;1-3-7-4-2-6-10-8(7)9-5-1/h5,8-9,12-14,16,24H,3-4,6-7,10-11H2,1-2H3;1-6H
InChIKeySSXOHSJKJVNQNF-UHFFFAOYSA-N
XLogP7.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine?
The IUPAC name of 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine (CID 174794411) is 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine.
What is the SMILES notation for 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine?
The canonical SMILES for 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine is COC(OC)c1cccc2c1c(C1CC1)cc1c3c(ccc12)CCCC3.c1cnc2ncccc2c1.
What is the InChIKey of 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine?
The InChIKey is SSXOHSJKJVNQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2.C8H6N2/c1-25-24(26-2)20-9-5-8-19-18-13-12-15-6-3-4-7-17(15)22(18)14-21(23(19)20)16-10-11-16;1-3-7-4-2-6-10-8(7)9-5-1/h5,8-9,12-14,16,24H,3-4,6-7,10-11H2,1-2H3;1-6H.
What are the key properties of 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine?
6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine has a molecular weight of 476.62 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine is sourced from PubChem (CID 174794411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).